data_1w0b_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 1w0b _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.754 0.311 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.74 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.64 -41.92 78.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.75 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -35.1 77.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.684 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -44.56 82.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.291 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.406 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -68.38 -45.73 71.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 12' ' ' SER . 6.1 tt -63.71 -51.11 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.408 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.494 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 10.0 t -60.83 -40.77 94.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.72 0.295 . . . . 0.0 110.705 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.66 99.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.187 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.81 -37.38 84.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.349 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -68.99 -39.67 79.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.744 0.307 . . . . 0.0 110.638 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.46 -53.14 38.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.44 . . . . 0.0 110.445 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.36 -40.66 71.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.148 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.424 ' CD2' HD22 ' A' ' 74' ' ' LEU . 12.2 t80 -60.72 -49.02 79.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.65 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -56.0 -38.84 71.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.403 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.2 t -69.43 -33.75 58.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.34 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.443 HD23 ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -67.48 -47.48 69.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.542 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 12.4 mt -69.68 -36.79 76.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.261 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 4.0 p-10 -75.68 -33.56 60.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.501 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -60.75 11.83 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -178.563 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.488 ' H ' ' C ' ' A' ' 23' ' ' ASN . 2.3 mp0 -72.02 176.61 4.93 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 122.073 -0.392 . . . . 0.0 109.946 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 p -106.14 50.0 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 91.6 m-85 -63.42 92.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.181 0.515 . . . . 0.0 110.368 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -161.16 -52.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.083 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -126.05 102.22 7.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.765 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.42 108.6 4.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 122.329 1.061 . . . . 0.0 113.534 -175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.437 ' O ' ' CB ' ' A' ' 32' ' ' VAL . 6.9 mp -149.39 173.92 13.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 113.164 -1.834 . . . . 0.0 107.112 178.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.437 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER 84.25 155.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 118.702 0.683 . . . . 0.0 110.906 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.7 137.37 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.311 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . 25.6 tt0 -67.71 -47.14 70.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.781 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -29.31 60.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -52.72 50.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.0 tpp -61.04 -50.02 75.03 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.64 -44.52 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.959 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.8 p -61.17 -38.12 85.36 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.285 0.564 . . . . 0.0 110.295 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.465 ' CG1' ' CH2' ' A' ' 44' ' ' TRP . 0.9 OUTLIER -62.16 -42.02 93.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.436 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.45 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 88.7 t -61.37 -52.99 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.442 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.23 -41.08 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.851 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -45.53 88.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.465 ' CH2' ' CG1' ' A' ' 40' ' ' VAL . 40.2 m0 -62.87 -48.63 78.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -48.82 69.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.278 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -61.89 -42.31 98.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.08 -40.36 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.016 0.436 . . . . 0.0 110.161 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.46 -50.5 58.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.644 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.0 mm -56.82 -49.51 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.948 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.12 -44.69 87.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.229 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -67.21 -49.62 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.097 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.406 ' CD1' HD13 ' A' ' 10' ' ' LEU . 18.7 m-85 -59.49 -38.15 80.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -54.15 -40.14 67.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.092 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -83.14 -9.0 59.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.588 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -96.76 38.65 1.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.763 0.316 . . . . 0.0 111.066 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.58 119.5 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t -108.29 10.65 27.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.539 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.31 175.96 44.79 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.172 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -66.6 168.94 8.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.882 0.341 . . . . 0.0 110.82 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 9.5 Cg_endo -52.26 -27.91 32.22 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.592 2.194 . . . . 0.0 112.606 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 21.1 mt-30 -73.35 -47.48 41.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.141 0.496 . . . . 0.0 109.76 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -64.47 -38.43 90.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.316 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -69.1 -50.29 49.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.375 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.15 -45.09 96.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.899 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 1.1 mmmp? -59.26 -47.34 85.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.77 -30.26 67.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.49 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 mt -71.91 -40.32 68.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.781 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -70.97 -39.54 72.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.561 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 2.5 tt0 -68.55 -34.95 76.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.179 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -49.07 70.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.891 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -63.05 -45.99 89.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.38 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.11 -35.0 78.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.951 0.405 . . . . 0.0 110.488 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HA ' HG23 ' A' ' 76' ' ' THR . 6.5 mm-40 -66.91 -38.36 86.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.562 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 18' ' ' PHE . 25.2 mt -70.51 -36.14 73.59 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.57 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -66.21 -39.66 89.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.982 0.42 . . . . 0.0 110.137 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.416 HG23 ' HA ' ' A' ' 73' ' ' GLU . 6.7 t -73.28 -32.35 64.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.535 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.3 mt -84.56 -31.39 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.203 0.525 . . . . 0.0 110.323 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.6 -26.86 34.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.271 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.55 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -58.66 -50.76 86.28 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.363 -178.306 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 30.4 Cg_endo -64.08 -33.66 60.92 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 121.744 1.629 . . . . 0.0 111.853 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.472 ' CG ' ' HB3' ' A' ' 22' ' ' LEU . 2.0 t80 -69.82 -43.48 71.92 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.358 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.8 mt -76.94 -33.42 57.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.637 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.64 56.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.175 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 17.7 ptmt -66.51 -41.89 88.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.049 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -64.9 -45.82 84.33 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.599 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.49 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 5.4 mmm180 -58.88 -54.63 44.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.277 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.25 -37.96 82.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.173 0.511 . . . . 0.0 109.966 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -62.26 -51.36 68.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.922 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -74.51 -25.83 59.6 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.737 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 1.1 mtpm? -89.51 -11.42 42.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.542 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.382 -179.717 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.752 0.311 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.457 ' N ' ' HG2' ' A' ' 5' ' ' LYS . . . -51.6 -39.27 57.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.104 0.478 . . . . 0.0 110.801 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -71.12 -45.67 63.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -60.77 -37.15 80.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.534 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.6 -45.99 81.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.973 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -46.2 90.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.726 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.5 mt -62.87 -51.13 75.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.731 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.81 -41.14 90.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.64 0.257 . . . . 0.0 111.147 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.25 -45.5 87.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.466 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.68 -39.22 93.67 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.517 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -39.83 78.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.541 0.21 . . . . 0.0 110.948 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -61.34 -53.25 59.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.87 -38.57 82.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.379 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.447 ' CE1' HD12 ' A' ' 74' ' ' LEU . 6.4 t80 -62.14 -46.79 87.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.18 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.8 p -61.68 -41.32 97.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.171 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.95 -32.96 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.208 0.528 . . . . 0.0 109.831 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 44' ' ' TRP . 13.1 tp -66.49 -45.41 79.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.23 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD2' ' CD2' ' A' ' 81' ' ' PHE . 10.1 mt -71.55 -45.84 61.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.74 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -61.03 -41.59 96.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.657 0.265 . . . . 0.0 111.694 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -74.02 4.24 5.75 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 7.3 mm100 -66.29 176.6 1.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.53 117.5 46.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 0.0 111.785 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 45.9 m-85 -139.52 85.82 2.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -153.06 -57.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.11 0.481 . . . . 0.0 109.95 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.24 99.8 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.06 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.11 102.93 3.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.62 0.724 . . . . 0.0 112.215 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.27 -51.68 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.64 159.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.259 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 m -74.05 163.05 28.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' HB3' ' CD2' ' A' ' 89' ' ' LEU . 3.9 pt-20 -74.5 -40.29 61.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.14 -33.75 71.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.31 -56.16 18.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.494 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -58.27 -48.1 81.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.541 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.28 -44.67 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.0 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.1 m -63.26 -33.58 75.81 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.168 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.416 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 24.9 t -67.01 -46.69 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.939 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.416 HG23 ' CE2' ' A' ' 81' ' ' PHE . 47.4 t -59.46 -54.93 27.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.997 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -38.97 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 0.0 110.674 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -58.98 -43.99 91.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.791 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.416 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 37.6 m0 -67.01 -49.02 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.732 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -48.99 72.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.403 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -41.88 94.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.703 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.44 -33.36 75.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.273 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.51 -51.67 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.0 mm -58.1 -51.4 71.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.774 0.321 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -39.91 83.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.335 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -69.95 -49.52 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.222 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.21 -32.58 73.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -58.91 -42.86 90.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.727 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -75.41 -22.72 57.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -89.95 43.45 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.794 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 63' ' ' ARG . 23.6 t -114.81 139.14 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.796 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 t -127.24 -7.97 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.68 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.77 176.91 44.72 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.71 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.496 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 1.3 pm0 -69.11 166.59 27.19 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-O 120.638 0.256 . . . . 0.0 111.368 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 2.7 Cg_endo -44.96 -32.95 6.96 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.057 2.505 . . . . 0.0 112.591 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -73.17 -41.67 63.63 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.0 -39.22 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.792 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HA ' HG12 ' A' ' 56' ' ' VAL . 25.7 ttm180 -66.75 -52.0 49.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.261 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.81 -39.42 88.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -46.99 87.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -69.16 -32.6 72.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.19 -31.55 58.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -77.69 -39.97 43.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.657 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.81 -33.49 68.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -66.94 -50.23 63.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.948 178.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 68' ' ' GLN . 8.0 ptm180 -60.11 -44.69 94.66 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.962 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 50.7 tt0 -59.3 -50.36 74.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -58.8 -36.22 74.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -63.42 -45.8 89.27 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.68 -33.06 75.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 109.849 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 m -76.51 -33.1 58.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.475 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.418 HD11 ' CD2' ' A' ' 18' ' ' PHE . 45.3 mt -83.74 -33.19 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.193 0.52 . . . . 0.0 110.366 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.53 -25.17 36.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.335 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.522 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -58.65 -50.92 85.4 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.265 -178.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 40.9 Cg_endo -68.3 -31.63 28.12 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 121.881 1.72 . . . . 0.0 112.166 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.461 ' CD2' ' CD2' ' A' ' 22' ' ' LEU . 3.0 t80 -73.1 -46.0 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.422 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -41.42 82.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.556 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.77 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 110.528 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -36.6 84.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.494 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 6.7 t80 -72.71 -44.95 61.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.132 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -44.05 84.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.19 0.519 . . . . 0.0 109.744 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.35 -36.76 83.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.533 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -63.38 -47.57 81.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.604 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 7.6 tp -73.98 -29.94 62.24 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.62 0.248 . . . . 0.0 111.591 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -17.5 44.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.706 0.289 . . . . 0.0 110.959 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.185 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.148 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.37 90.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.009 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -77.05 -46.72 22.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.443 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -35.08 79.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.019 0.438 . . . . 0.0 110.325 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.08 -44.94 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.961 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -42.57 98.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.594 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.1 mt -70.24 -51.88 34.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.713 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -65.67 -40.26 92.2 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 122.295 -0.253 . . . . 0.0 111.225 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.5 95.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.292 0.568 . . . . 0.0 109.611 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.19 -37.59 72.04 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.264 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -39.76 74.81 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.675 0.274 . . . . 0.0 110.442 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -53.25 59.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.4 -36.5 80.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.03 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.465 ' CE2' ' CD1' ' A' ' 22' ' ' LEU . 25.1 t80 -69.67 -34.55 74.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.348 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 1.2 m -74.19 -44.67 52.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.622 0.248 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.66 -33.45 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.324 0.583 . . . . 0.0 109.581 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.439 HD13 ' CZ3' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -71.44 -44.76 64.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.036 179.223 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD1' ' CE2' ' A' ' 18' ' ' PHE . 12.5 mt -70.71 -36.26 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' SER . 4.7 m-80 -77.58 -10.22 59.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.257 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 45.17 0.99 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.962 0.411 . . . . 0.0 111.94 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' CB ' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -119.52 131.2 55.51 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.024 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.51 ' HB ' ' OD1' ' A' ' 29' ' ' ASP . 27.1 m -72.6 52.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -178.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CE2' ' CB ' ' A' ' 25' ' ' GLN . 69.0 m-85 -61.93 86.08 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.528 0.68 . . . . 0.0 110.549 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' VAL . 2.0 t30 178.63 -20.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.209 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.51 ' OD1' ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -98.62 97.91 9.13 Favored 'General case' 0 CA--C 1.527 0.074 0 CA-C-O 121.439 0.638 . . . . 0.0 112.255 -179.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . . . -70.42 86.87 0.62 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.163 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -173.86 148.23 1.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 113.129 -1.85 . . . . 0.0 108.872 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER 100.33 170.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 122.966 0.507 . . . . 0.0 111.228 -179.588 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.68 140.47 29.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.276 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.62 -40.56 61.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.255 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -53.94 -36.38 62.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.224 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -56.16 25.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.471 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -43.79 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.4 t -56.27 -45.45 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.232 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -35.75 81.64 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.371 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.48 ' CG1' ' CH2' ' A' ' 44' ' ' TRP . 24.4 t -58.94 -48.01 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.219 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.12 -42.51 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.999 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.74 -42.9 97.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.62 -47.29 81.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.671 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.48 ' CH2' ' CG1' ' A' ' 40' ' ' VAL . 25.7 m0 -58.9 -48.94 79.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 34.2 ttm -56.88 -48.79 77.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.505 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -64.78 -41.56 95.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.928 0.394 . . . . 0.0 110.393 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.481 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -72.66 -47.83 44.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 50' ' ' ASN . 4.4 tp -58.6 -49.21 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.961 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.471 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 2.3 t30 -63.15 -46.22 88.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.386 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -67.5 -28.51 67.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.247 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.16 -38.93 21.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.577 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -56.94 -35.49 69.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.642 0.258 . . . . 0.0 110.845 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.469 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -80.43 -32.73 37.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.939 0.4 . . . . 0.0 110.502 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -72.42 48.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.586 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.2 t -147.87 89.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.24 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.1 p -93.17 25.41 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.544 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.68 -174.52 32.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.188 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.17 167.53 0.89 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.655 0.264 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.12 -30.15 55.85 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.481 2.121 . . . . 0.0 112.456 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -71.62 -47.51 54.11 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -40.29 85.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.943 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' A' ' 64' ' ' ASP . 6.8 ptp180 -74.44 -52.16 12.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.673 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -57.79 -42.21 83.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.42 -40.52 73.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.981 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.93 88.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.024 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.89 -39.02 83.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -66.2 -50.34 64.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -62.5 -33.41 74.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.238 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.8 -51.92 50.04 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -57.27 -42.54 81.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -61.99 -50.41 72.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.397 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -51.14 67.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.336 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.51 -48.09 77.94 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.94 -28.45 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.784 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.451 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 7.4 m -72.95 -54.37 8.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.442 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 8.6 mt -57.62 -46.38 84.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.97 -22.88 65.0 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.457 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.03 -55.55 44.02 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 35.2 Cg_endo -64.44 -19.49 65.34 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 121.873 1.716 . . . . 0.0 112.053 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.445 ' CD2' HD21 ' A' ' 22' ' ' LEU . 1.2 t80 -73.87 -44.9 53.97 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.244 0.545 . . . . 0.0 111.562 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.11 -32.25 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.82 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.27 51.23 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.014 0.435 . . . . 0.0 110.179 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 0.4 OUTLIER -67.05 -40.45 87.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.235 179.581 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -43.13 71.95 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.907 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -57.59 -46.34 84.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.205 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -39.33 94.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.874 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -62.34 -48.66 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.607 179.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -34.57 63.24 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -77.33 -23.25 50.97 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.675 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 0.0 111.064 -179.821 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.878 0.371 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.55 -32.4 18.41 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.781 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 25.7 p30 -75.93 -30.97 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 110.035 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.408 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 6.6 tttt -77.49 -31.8 53.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.366 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.12 -36.92 64.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.709 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -69.96 -44.64 69.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 179.347 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 12' ' ' SER . 5.0 tt -62.7 -50.16 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.639 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.484 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 1.2 m -66.67 -38.16 86.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.548 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.64 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 110.545 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.02 -36.62 60.65 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.334 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.13 -39.19 75.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.626 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -65.64 -53.12 45.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.994 0.426 . . . . 0.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.9 -38.39 78.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.437 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.4 t80 -68.79 -40.99 79.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.212 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -38.73 90.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 3.5 t -72.32 -41.16 65.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.232 0.539 . . . . 0.0 109.953 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.422 HD23 ' CE3' ' A' ' 44' ' ' TRP . 11.4 tp -55.96 -48.32 76.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.651 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.511 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 59.7 mt -71.55 -35.64 70.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.407 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -82.66 0.23 44.13 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -93.15 28.53 2.13 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.365 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.579 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 14.9 mm100 -93.19 176.67 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.21 50.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 37.0 m-85 -62.5 105.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.45 0.643 . . . . 0.0 110.404 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t30 179.64 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.702 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.608 ' O ' HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -126.24 92.96 3.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.925 178.813 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.451 ' CB ' ' CD1' ' A' ' 88' ' ' PHE . . . -72.61 108.54 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -176.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.608 HD11 ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -124.31 -50.64 1.77 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.012 179.072 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.503 ' N ' ' CD2' ' A' ' 31' ' ' LEU . 14.9 p -67.31 149.02 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.96 0.41 . . . . 0.0 111.521 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.18 150.26 39.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.438 ' N ' ' CD1' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -74.68 -34.74 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.02 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -59.41 -38.92 81.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.562 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -60.01 -55.61 31.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.233 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.477 ' CG ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.96 -44.19 86.89 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.6 t -56.52 -44.88 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.109 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m -68.28 -31.82 71.53 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.508 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.442 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 37.7 t -63.87 -51.74 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 42.4 t -62.56 -41.49 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.748 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -41.89 96.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -42.99 98.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.151 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 43.5 m0 -67.35 -49.06 65.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.194 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -37.39 76.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.21 -43.61 70.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.534 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.0 -34.35 78.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.058 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -50.76 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.62 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.71 -48.3 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -62.94 -32.89 74.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.397 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -81.4 -31.88 33.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.614 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.443 ' CE1' ' CD2' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -75.23 -39.75 59.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.339 -179.539 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -32.32 11.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.216 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -8.0 56.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.936 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -96.61 12.34 32.04 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.556 0.217 . . . . 0.0 111.47 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 57' ' ' THR . 35.0 t -94.96 -83.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 1.9 m 90.64 7.62 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.718 0.407 . . . . 0.0 111.599 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.02 -177.94 42.02 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.37 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.455 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -64.71 169.35 5.34 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 117.367 0.584 . . . . 0.0 110.615 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 9.8 Cg_endo -51.83 -27.84 28.73 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.477 2.118 . . . . 0.0 112.308 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 24.5 pt20 -73.07 -42.79 62.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -45.44 91.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.323 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -68.53 -49.72 57.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.8 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.92 -52.04 65.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.453 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -56.88 -47.43 80.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.436 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HA ' ' HG2' ' A' ' 69' ' ' GLU . . . -64.72 -51.32 63.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.444 0.64 . . . . 0.0 109.693 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 mt -54.55 -33.81 60.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.71 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -72.47 -50.35 26.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG2' ' HA ' ' A' ' 66' ' ' ALA . 22.0 pt-20 -64.74 -29.87 70.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.259 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -50.27 59.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.243 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -62.54 -44.24 96.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.767 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.15 -42.55 99.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.708 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' HA ' HG23 ' A' ' 76' ' ' THR . 26.6 mt-10 -62.9 -42.24 99.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.044 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.7 -38.09 89.81 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.828 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -64.94 -49.44 70.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.975 0.417 . . . . 0.0 110.221 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.444 HG23 ' HA ' ' A' ' 73' ' ' GLU . 5.2 t -60.4 -34.61 74.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.514 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.68 -43.34 22.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.529 0.68 . . . . 0.0 109.694 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.9 -27.01 65.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.334 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.465 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -58.43 -56.85 31.11 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.738 -177.567 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 19.6 Cg_endo -59.18 -31.75 95.88 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 121.701 1.6 . . . . 0.0 111.932 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.511 ' CD2' ' HB3' ' A' ' 22' ' ' LEU . 1.1 t80 -74.17 -50.66 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.425 0.631 . . . . 0.0 110.907 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.468 HD22 ' HG3' ' A' ' 86' ' ' ARG . 7.3 tt -68.7 -40.49 80.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.241 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.14 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -69.82 -39.98 76.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.664 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CE2' ' CG ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -68.8 -39.41 80.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.917 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HG3' HD22 ' A' ' 82' ' ' LEU . 4.5 mmm180 -64.0 -53.05 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -33.54 64.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.25 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.451 ' CD1' ' CB ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -63.98 -51.82 62.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 34' ' ' GLU . 5.6 mt -74.43 -27.84 60.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.107 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -13.29 43.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.7 0.286 . . . . 0.0 111.549 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 111.205 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 tptp . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.767 0.318 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.62 -42.64 71.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.629 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -68.8 -32.32 71.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.373 . . . . 0.0 110.58 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -35.58 60.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.526 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -64.9 -47.87 76.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.384 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -43.83 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.401 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -61.21 -51.15 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.211 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -59.82 -42.62 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.61 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.92 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.324 . . . . 0.0 110.699 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.71 -35.15 85.12 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.517 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 2.1 mp -71.27 -39.75 71.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.645 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -61.88 -53.17 59.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.35 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -59.72 -40.64 88.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.555 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CE2' HD21 ' A' ' 74' ' ' LEU . 21.2 t80 -61.91 -48.99 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 p -59.12 -41.06 87.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.603 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.443 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 2.8 t -69.34 -37.86 76.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.241 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD1' ' CH2' ' A' ' 44' ' ' TRP . 1.4 tp -59.69 -47.26 86.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.111 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD21 ' CE2' ' A' ' 81' ' ' PHE . 14.9 mt -68.33 -36.18 78.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.765 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.564 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 22.2 p30 -80.25 -33.0 38.26 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.564 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 12.8 pt20 -61.51 14.21 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.531 ' H ' ' C ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -79.64 176.65 9.51 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.6 p -101.99 50.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.501 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 45.1 m-85 -62.82 90.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.475 0.655 . . . . 0.0 110.688 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -156.96 -57.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.611 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.39 101.76 6.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.384 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.87 76.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.203 0.525 . . . . 0.0 111.55 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -113.3 50.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.214 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -144.45 -86.48 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 p 176.9 137.04 0.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.741 0.305 . . . . 0.0 110.687 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -74.27 -45.88 44.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.428 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -53.87 -41.84 67.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.15 -55.74 31.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.464 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.46 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -57.93 -43.44 86.28 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.1 t -56.81 -44.68 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.052 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -38.05 89.66 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.105 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 HG13 ' CE2' ' A' ' 44' ' ' TRP . 8.2 t -61.91 -39.87 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.826 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.433 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 53.4 t -65.3 -50.04 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.73 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -42.77 95.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.709 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -38.77 92.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.449 ' CH2' ' CD1' ' A' ' 21' ' ' LEU . 22.0 m0 -68.64 -48.5 63.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.81 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 29.7 ttm -58.51 -45.22 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.352 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -67.8 -43.44 79.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.002 0.429 . . . . 0.0 110.483 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -64.44 -33.1 75.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.541 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -71.05 -45.56 63.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 49' ' ' ILE . 34.3 mm -60.54 -52.46 61.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.723 0.297 . . . . 0.0 110.785 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.99 -40.63 94.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -67.18 -49.19 65.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.425 ' HA ' ' CG ' ' A' ' 55' ' ' GLN . 12.5 m-85 -59.55 -30.88 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' O ' HG21 ' A' ' 56' ' ' VAL . 10.5 ttp-105 -62.33 -39.64 93.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -6.78 43.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.793 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' CG ' ' HA ' ' A' ' 52' ' ' TYR . 11.9 pt20 -115.9 24.63 11.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.669 0.271 . . . . 0.0 111.495 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.663 HG13 ' HG3' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -114.16 125.85 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.078 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.55 ' N ' HH11 ' A' ' 63' ' ' ARG . 2.0 m -167.55 125.92 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 154.87 -6.92 0.3 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 119.741 -1.218 . . . . 0.0 113.827 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER 157.11 121.18 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 123.098 0.559 . . . . 0.0 109.847 178.148 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 59' ' ' GLU . 5.7 Cg_endo -46.88 -51.09 9.75 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.526 2.151 . . . . 0.0 111.842 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 26.0 tt0 -62.26 -37.08 84.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 59' ' ' GLU . 3.1 tt0 -71.89 -32.75 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.34 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.663 ' HG3' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -74.56 -55.6 5.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.261 0.553 . . . . 0.0 110.54 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.88 -33.45 73.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.522 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -68.85 -47.15 66.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.32 73.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.169 0.509 . . . . 0.0 110.311 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD23 ' CG2' ' A' ' 56' ' ' VAL . 1.8 mm? -72.94 -43.91 61.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.707 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 9.0 pt20 -63.78 -42.5 97.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 110.153 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 3.5 mm-40 -62.76 -41.83 99.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.849 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -50.99 68.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.323 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -58.13 -49.14 78.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.764 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 -50.45 73.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -45.13 75.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.729 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.461 HD21 ' CE2' ' A' ' 18' ' ' PHE . 57.4 mt -59.26 -44.35 92.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.232 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -64.53 -31.65 72.95 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.173 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.0 p -79.97 -28.86 39.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.382 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.1 mt -85.91 -33.57 21.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.12 0.486 . . . . 0.0 110.419 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.51 -24.21 36.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.281 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.525 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.81 -50.78 86.16 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.398 -178.359 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 42.5 Cg_endo -68.5 -31.9 26.25 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 121.837 1.691 . . . . 0.0 112.235 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.463 ' CE2' HD21 ' A' ' 22' ' ' LEU . 2.2 t80 -71.1 -44.71 65.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.518 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -40.6 70.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.49 -35.44 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 110.2 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -65.9 -42.04 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.547 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.46 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 2.3 t80 -68.17 -43.89 77.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.73 0.3 . . . . 0.0 111.19 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -54.47 46.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.904 0.383 . . . . 0.0 110.663 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -38.71 89.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.095 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.31 -40.37 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.208 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -74.01 -31.13 62.79 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.382 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -85.72 -22.91 27.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 111.658 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 111.728 -179.416 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.09 0 CA-C-O 120.721 0.296 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -41.4 85.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 0.0 110.584 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -76.73 -43.9 35.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.449 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.58 83.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.44 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.81 -48.44 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.968 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -41.84 93.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -68.0 -51.45 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.51 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.477 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 59.0 p -67.99 -39.27 83.28 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.456 -0.153 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -62.71 -35.83 81.0 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.62 -32.38 61.78 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.375 -0.916 . . . . 0.0 110.873 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -74.52 -40.24 61.87 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.493 0.187 . . . . 0.0 111.053 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -68.48 -44.73 74.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.682 0.277 . . . . 0.0 110.642 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -67.44 -38.79 85.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.022 0.439 . . . . 0.0 110.194 179.382 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.453 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 23.4 t80 -73.84 -32.71 63.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 22.7 t -68.97 -44.05 73.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.596 0.236 . . . . 0.0 110.801 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 t -68.91 -38.37 78.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.435 HD12 ' CZ2' ' A' ' 44' ' ' TRP . 13.9 tp -56.56 -45.87 81.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.447 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 81' ' ' PHE . 11.5 mt -78.73 -48.85 14.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 19' ' ' SER . 11.7 m-80 -58.51 -17.73 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -85.38 57.84 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 111.395 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.759 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 10.9 mm100 -119.96 176.92 5.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.05 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG23 HD12 ' A' ' 31' ' ' LEU . 8.5 p -111.64 50.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.324 -0.55 . . . . 0.0 112.413 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.759 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 26.4 m-85 -62.75 141.35 58.63 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER 87.31 15.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -176.692 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.467 ' HB2' HG21 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -126.29 159.63 32.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.934 -179.454 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.71 73.32 0.84 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.333 -1.303 . . . . 0.0 113.395 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.496 HD12 HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -162.71 134.24 5.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.462 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER 95.4 139.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.139 0.576 . . . . 0.0 111.135 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -74.1 150.33 40.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.172 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' ' 89' ' ' LEU . 1.1 pp20? -74.48 -47.0 35.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.34 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.19 -42.36 73.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.999 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -54.36 47.85 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.969 0.414 . . . . 0.0 110.335 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.422 ' CE ' ' NE2' ' A' ' 25' ' ' GLN . 38.8 tpp -58.05 -44.42 87.43 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.487 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.9 t -56.41 -45.92 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.776 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -64.63 -35.82 82.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.152 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.471 ' HA ' ' OD2' ' A' ' 43' ' ' ASP . 48.0 t -58.1 -40.7 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-O 121.13 0.491 . . . . 0.0 110.453 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.453 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 34.5 t -68.52 -46.31 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.228 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -45.53 86.98 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.973 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.471 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 4.3 p30 -67.07 -35.05 78.98 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.046 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.465 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 7.3 m0 -62.21 -49.44 75.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.076 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.428 ' CG ' ' O ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -59.81 -49.16 78.79 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.618 -179.182 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -43.62 98.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.939 0.399 . . . . 0.0 110.49 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.21 -40.26 89.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -70.02 -47.75 60.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.405 ' CD1' ' O ' ' A' ' 45' ' ' MET . 1.6 mp -57.76 -56.03 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.801 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -49.01 76.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.487 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -61.65 -49.68 75.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.363 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.443 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -65.22 -30.89 71.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.804 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.46 -41.99 77.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.647 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -90.95 -24.08 20.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.448 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -77.89 -19.35 54.92 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.56 ' O ' ' CB ' ' A' ' 57' ' ' THR . 94.1 t -54.18 -99.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.264 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.56 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 6.6 m 100.51 170.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.209 0.604 . . . . 0.0 109.705 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.05 -172.83 37.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.096 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.04 164.49 3.36 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 52.7 Cg_endo -68.93 -25.17 32.81 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.523 2.149 . . . . 0.0 112.478 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 46.4 tt0 -73.1 -48.36 36.43 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.05 -42.55 90.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.112 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 60' ' ' PRO . 9.9 ptp180 -70.77 -50.83 31.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -57.71 -35.3 70.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -73.33 -38.13 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.43 -39.74 70.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.166 0.508 . . . . 0.0 110.37 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 mp -65.89 -40.7 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.867 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -69.88 -41.86 74.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 2.2 mt-10 -68.51 -26.17 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.694 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 11.2 mt -75.31 -51.28 13.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -57.36 -39.55 76.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.346 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 10.6 pt20 -70.95 -49.66 43.16 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.694 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.74 -50.07 74.46 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.307 179.703 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' CZ ' ' A' ' 18' ' ' PHE . 16.6 mt -57.14 -45.08 83.87 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.969 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.66 -29.73 70.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.541 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.27 -29.76 38.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.415 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -79.01 -45.99 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.26 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . . . -68.29 -21.33 64.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.505 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.468 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -58.64 -57.61 25.39 Favored Pre-proline 0 C--N 1.331 -0.236 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.321 -178.235 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 19.7 Cg_endo -60.16 -31.71 93.56 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.132 1.888 . . . . 0.0 112.564 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 25' ' ' GLN . 1.1 t80 -73.69 -46.93 43.35 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.453 0.644 . . . . 0.0 111.335 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 0.2 OUTLIER -77.0 -32.45 57.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.746 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.1 -30.31 58.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.249 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.46 ' HG2' ' CD1' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -72.34 -46.79 53.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.614 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -35.45 75.03 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.33 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.53 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -62.2 -41.66 98.56 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.007 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -40.12 95.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.407 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CZ ' ' O ' ' A' ' 29' ' ' ASP . 1.3 t80 -65.8 -50.06 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.372 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 70.1 mt -63.58 -39.62 94.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -85.05 -29.13 25.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.991 0.424 . . . . 0.0 110.987 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.107 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.54 -43.26 89.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.142 0.496 . . . . 0.0 110.362 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -71.32 -46.59 60.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.528 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -37.68 80.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.471 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.7 -46.29 79.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.894 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -45.39 93.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.943 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.3 mt -63.85 -51.91 63.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.441 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -62.93 -38.54 91.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.643 0.259 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -61.2 -45.25 95.37 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.1 -29.8 75.66 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.428 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -70.7 -40.22 73.0 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.638 0.256 . . . . 0.0 110.834 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -71.12 -44.78 64.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.184 -179.294 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.65 -46.59 89.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.272 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 4.8 t80 -59.43 -49.19 78.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.827 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -55.27 -41.19 71.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.518 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 16' ' ' LYS . 4.0 t -64.08 -41.31 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.239 0.542 . . . . 0.0 110.066 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD1' ' CZ3' ' A' ' 44' ' ' TRP . 6.9 tp -66.42 -46.76 75.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.446 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 18' ' ' PHE . 68.3 mt -65.05 -41.58 95.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.617 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -76.78 -28.35 55.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.439 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -62.25 -3.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 11.0 mm-40 -80.93 149.75 29.27 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.6 t -79.51 127.58 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.835 0.35 . . . . 0.0 111.576 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 25' ' ' GLN . 61.0 m-85 -130.79 85.62 2.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -136.13 -65.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.021 0.439 . . . . 0.0 110.807 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 9.3 p-10 -126.09 126.35 44.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.694 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.47 89.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.397 0.618 . . . . 0.0 112.359 -177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.439 ' CD2' ' O ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -103.7 -51.35 3.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.008 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.435 ' H ' ' HG ' ' A' ' 31' ' ' LEU . 12.5 p -71.36 159.78 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.493 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 t -66.67 154.3 40.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 30.8 tt0 -74.62 -47.1 34.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.361 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -33.52 58.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.229 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -56.18 22.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.704 0.288 . . . . 0.0 110.537 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.474 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -60.27 -44.31 95.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.9 -44.53 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.93 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -35.23 80.52 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.024 0.44 . . . . 0.0 110.106 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.461 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 38.4 t -61.63 -45.74 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.896 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.488 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 47.5 t -64.66 -42.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.672 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -43.03 86.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -48.67 80.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.472 ' CZ3' ' CD1' ' A' ' 21' ' ' LEU . 48.4 m0 -63.44 -48.46 77.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ttm -56.73 -48.85 76.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.421 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.08 -41.14 99.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.947 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -65.41 -34.25 77.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.814 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -71.59 -46.27 59.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.7 mm -60.8 -51.19 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -61.09 -41.93 97.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -67.11 -44.68 79.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.444 ' CE2' HD23 ' A' ' 70' ' ' LEU . 4.1 m-85 -62.44 -32.4 73.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' O ' HG21 ' A' ' 56' ' ' VAL . 2.9 mtm180 -54.69 -34.58 62.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.458 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -13.75 53.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -91.06 24.01 3.0 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.755 0.312 . . . . 0.0 111.002 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.564 ' O ' ' CB ' ' A' ' 57' ' ' THR . 1.4 t -106.8 -173.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.564 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 7.6 t 122.28 99.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.46 1.104 . . . . 0.0 110.152 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 178.42 22.72 0.03 OUTLIER Glycine 0 CA--C 1.527 0.825 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.693 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' GLY . 1.0 OUTLIER 105.09 147.32 0.01 OUTLIER Pre-proline 0 N--CA 1.467 0.377 0 C-N-CA 124.594 1.157 . . . . 0.0 110.68 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.91 -51.09 7.88 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.999 2.466 . . . . 0.0 112.203 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.46 ' HG3' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -62.6 -30.08 71.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.126 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.503 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 9.1 tp10 -73.48 -50.49 21.29 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.525 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.558 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 13.7 ttp180 -65.03 -55.72 17.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.925 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -43.12 86.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.922 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 7.0 ttpt -68.26 -34.95 77.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.336 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.32 -41.09 57.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.205 0.526 . . . . 0.0 110.397 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -70.4 -39.23 74.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.813 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 5.1 pp0? -67.25 -47.09 71.79 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.265 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -61.59 -34.58 75.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.902 179.001 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.535 ' HA ' ' HG2' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -62.43 -51.83 65.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.48 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -57.42 -40.88 79.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.695 0.283 . . . . 0.0 110.581 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.41 -49.38 71.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.535 ' HG2' ' HA ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -60.76 -27.06 67.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.51 -179.555 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 HD21 ' HG3' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -78.39 -47.97 16.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.124 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.33 -35.38 77.23 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.447 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 7.8 t -69.97 -52.42 24.5 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.08 -41.25 96.29 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.639 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.95 -16.47 56.92 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 111.718 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.415 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -58.76 -57.1 29.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.234 -177.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.447 ' CD ' ' O ' ' A' ' 76' ' ' THR . 50.3 Cg_endo -68.8 -25.19 33.57 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.402 2.068 . . . . 0.0 113.374 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.488 ' CE2' ' CG2' ' A' ' 41' ' ' VAL . 1.6 t80 -74.01 -48.31 31.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 111.521 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.9 -41.3 95.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.826 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.27 -38.38 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.349 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 27' ' ' PHE . 7.6 tttp -62.1 -37.22 84.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.565 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 5.6 t80 -75.9 -38.05 58.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -47.34 81.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.896 0.379 . . . . 0.0 110.48 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.68 -35.85 75.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.897 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -66.95 -40.23 87.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.805 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.24 -38.42 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.93 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -7.01 54.73 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.842 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HA ' ' HG2' ' A' ' 8' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.222 -0.348 0 CA-C-O 121.238 0.542 . . . . 0.0 110.143 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.48 -34.42 35.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.951 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.35 -47.17 36.03 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.416 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.495 ' HG2' ' HA ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -71.14 -30.98 67.15 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.023 0.44 . . . . 0.0 110.54 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.74 -44.68 76.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.366 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -42.5 99.64 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.429 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.402 ' N ' HD11 ' A' ' 11' ' ' ILE . 1.5 mp -69.45 -52.3 33.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.454 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -65.89 -38.98 90.16 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 122.112 -0.368 . . . . 0.0 111.073 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.57 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -63.92 -36.8 85.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.282 0.563 . . . . 0.0 109.576 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.24 -38.33 58.96 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.016 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -40.88 71.5 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -64.18 -45.04 90.12 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.13 -34.42 77.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CE1' HD21 ' A' ' 74' ' ' LEU . 15.9 t80 -62.98 -42.33 99.81 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.923 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.4 -42.0 75.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.693 0.282 . . . . 0.0 111.085 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.54 -32.19 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.386 0.612 . . . . 0.0 109.454 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' CD1' ' CH2' ' A' ' 44' ' ' TRP . 4.2 tp -70.72 -40.13 73.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.621 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD2' ' CD2' ' A' ' 81' ' ' PHE . 6.6 mt -68.32 -44.29 75.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.167 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -30.96 63.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.717 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -100.94 30.04 4.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.665 0.269 . . . . 0.0 111.384 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -61.18 176.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.84 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.428 HG13 ' HE3' ' A' ' 37' ' ' MET . 4.0 p -103.0 115.06 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.388 0.613 . . . . 0.0 110.974 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 41.3 m-85 -141.46 96.28 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.061 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.54 -63.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 119.466 1.03 . . . . 0.0 109.103 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -126.47 92.62 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.658 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . -72.2 165.08 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -177.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER 102.05 68.53 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.003 -179.071 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.441 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 1.5 p 153.96 -39.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.289 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 1.9 m -75.08 -4.07 36.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.556 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . 38.2 tt0 -63.65 -48.34 77.62 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.11 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.35 -44.88 57.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.193 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.95 -52.7 64.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.224 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.428 ' HE3' HG13 ' A' ' 26' ' ' VAL . 10.5 tpp -58.07 -45.52 86.94 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 t -55.68 -45.44 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.231 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 43' ' ' ASP . 54.7 m -67.55 -32.76 73.76 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.879 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.4 t -62.54 -51.35 73.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.885 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 65.9 t -59.33 -49.9 81.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 110.177 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 45' ' ' MET . 1.4 tt0 -58.05 -39.12 77.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.571 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -64.3 -50.13 69.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.046 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.45 ' CH2' ' CD1' ' A' ' 21' ' ' LEU . 41.0 m0 -60.38 -49.49 77.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.973 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 6.2 ptp -56.96 -42.55 80.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.417 ' N ' ' HG3' ' A' ' 45' ' ' MET . 0.5 OUTLIER -69.53 -41.83 75.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.477 179.636 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -64.1 -36.13 83.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.217 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.73 -51.67 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.4 mm -56.21 -45.07 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.361 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 1.9 t30 -66.5 -43.92 84.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.311 . . . . 0.0 111.584 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.49 -29.15 62.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.708 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.466 ' CD2' ' CD2' ' A' ' 70' ' ' LEU . 3.9 m-85 -84.29 -44.42 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.339 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 50' ' ' ASN . 4.3 ptm85 -51.54 -32.54 28.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -97.37 -25.57 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.663 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 52' ' ' TYR . 5.7 mm100 -71.05 -9.8 58.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.508 ' O ' ' OG1' ' A' ' 57' ' ' THR . 48.2 t -83.75 -74.59 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.604 0.24 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 56' ' ' VAL . 4.6 p 88.45 -118.48 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.522 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.503 ' N ' ' OG1' ' A' ' 57' ' ' THR . . . 39.15 -165.13 0.01 OUTLIER Glycine 0 C--N 1.34 0.801 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.316 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.05 167.33 9.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 122.798 -0.236 . . . . 0.0 110.474 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.38 -25.13 76.09 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.377 2.052 . . . . 0.0 112.491 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.4 -47.9 58.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.229 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.74 -39.44 84.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -55.0 6.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.01 -40.73 81.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -72.55 -43.13 63.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.247 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 53' ' ' ARG . 12.0 mt -70.66 -45.58 64.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.284 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -63.24 -34.46 77.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.782 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 1.8 tt0 -72.64 -38.33 67.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 6.4 tp -64.61 -51.72 61.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.675 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -57.25 -43.94 83.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.49 -50.35 69.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 110.372 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.43 -50.94 70.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.161 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' A' ' 18' ' ' PHE . 17.6 mt -56.4 -48.13 77.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.013 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.52 -27.7 67.82 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.087 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 17.0 m -74.06 -55.81 5.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.373 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.437 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 20.6 mt -57.97 -43.49 86.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.902 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.42 -27.17 68.34 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.436 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.1 m120 -57.88 -55.89 40.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.787 -176.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.437 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 38.5 Cg_endo -67.42 -24.24 43.07 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 121.91 1.74 . . . . 0.0 112.369 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.473 ' CD2' ' CD2' ' A' ' 22' ' ' LEU . 1.2 t80 -74.15 -44.98 51.58 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.051 0.453 . . . . 0.0 110.573 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -40.27 94.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.214 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.45 92.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.242 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -47.04 88.06 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 0.4 OUTLIER -70.53 -38.65 74.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.622 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 11.9 mmm180 -64.17 -30.8 71.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.32 -38.96 68.55 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.297 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 1.1 t80 -63.93 -42.41 97.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.172 0.51 . . . . 0.0 110.248 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -74.34 -35.27 63.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.406 179.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -72.14 -31.52 66.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.235 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -178.532 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.217 0 CA-C-O 120.791 0.329 . . . . 0.0 111.615 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.61 -31.66 16.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 39.4 p-10 -69.4 -45.69 68.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.008 0.433 . . . . 0.0 110.145 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 2.6 tmmm? -65.3 -39.4 92.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.869 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -60.73 -39.78 89.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.95 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -45.14 88.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mt -64.17 -51.51 67.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 t -65.6 -37.75 87.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.7 95.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.017 0.436 . . . . 0.0 110.139 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.69 -37.38 61.6 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.333 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -39.74 78.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 110.254 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -65.78 -53.1 44.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.174 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -55.58 -38.68 69.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.946 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.92 -44.56 97.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.603 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.6 p -62.86 -38.73 91.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.437 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 4.0 t -68.82 -42.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.193 0.521 . . . . 0.0 109.889 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD1' ' CH2' ' A' ' 44' ' ' TRP . 2.7 tp -62.47 -43.19 99.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.88 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.555 ' CD2' ' CG ' ' A' ' 81' ' ' PHE . 1.2 tt -64.46 -34.96 79.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.831 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 19.9 p30 -82.81 -27.92 30.59 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.471 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.0 pt20 -65.49 2.88 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.505 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.1 mp0 -64.34 176.63 1.01 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.8 p -99.76 50.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 92.2 m-85 -66.02 85.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.422 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -169.7 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.045 0.45 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -126.0 99.13 5.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.985 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' LEU . . . -71.2 164.62 25.3 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 26.6 mt 123.12 -172.38 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 112.955 -1.93 . . . . 0.0 107.757 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER 87.07 16.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 118.523 0.601 . . . . 0.0 111.247 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p 63.24 135.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.61 -29.51 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.33 -36.29 79.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.438 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -53.74 48.34 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.481 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 45.0 tpp -60.25 -47.49 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.41 -44.99 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.763 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.0 m -64.1 -32.65 74.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.276 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.478 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 39.3 t -67.5 -46.2 83.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.703 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.481 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 17.0 t -59.43 -52.61 58.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.569 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.96 -41.2 95.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.646 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -49.48 74.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.674 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.478 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 40.2 m0 -59.4 -48.73 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.83 -49.01 66.58 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.425 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -64.48 -39.83 94.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.83 -36.27 83.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.356 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.419 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 3.6 m-85 -68.2 -50.49 53.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.803 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.35 -52.7 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.336 . . . . 0.0 110.795 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.07 -40.63 81.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.902 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -73.49 -49.74 25.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.848 0.356 . . . . 0.0 111.585 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.435 ' CD2' ' CD2' ' A' ' 70' ' ' LEU . 18.0 m-85 -57.42 -37.53 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.19 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -37.48 46.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.16 -5.72 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.097 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.39 23.44 10.2 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.67 0.272 . . . . 0.0 111.466 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' A' ' 57' ' ' THR . 24.3 t -97.35 -85.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.075 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 56' ' ' VAL . 2.8 p 89.01 -2.3 0.4 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.223 0.609 . . . . 0.0 111.432 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.13 -177.69 49.9 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 3.7 pm0 -71.3 165.17 50.95 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 117.84 0.82 . . . . 0.0 111.182 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 4.1 Cg_endo -46.1 -31.75 9.14 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.845 2.364 . . . . 0.0 112.574 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 26.4 tt0 -73.13 -46.77 49.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -43.73 98.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.838 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -65.69 -51.21 61.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.127 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.64 -50.61 68.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.344 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -53.22 -47.36 69.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.326 -179.364 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.25 60.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.238 0.542 . . . . 0.0 109.672 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.45 -34.89 59.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.971 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -50.23 41.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.704 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -28.39 69.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.163 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.435 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 1.5 tp -68.74 -49.45 58.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.407 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -60.84 -43.1 98.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.757 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -65.12 -44.22 89.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' HA ' HG23 ' A' ' 76' ' ' THR . 6.9 mm-40 -63.1 -39.53 94.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.54 -39.4 85.0 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.185 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 79' ' ' ASN . 22.0 m-80 -62.58 -50.28 71.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.207 0.527 . . . . 0.0 109.715 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' ' 73' ' ' GLU . 8.9 t -60.91 -38.18 84.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.631 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 mt -78.44 -33.89 48.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.298 0.571 . . . . 0.0 110.424 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.73 -28.88 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.394 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.58 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.37 -44.01 98.73 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.132 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 39.2 Cg_endo -66.7 -25.86 46.21 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 121.323 1.349 . . . . 0.0 111.277 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.555 ' CG ' ' CD2' ' A' ' 22' ' ' LEU . 1.2 t80 -70.27 -44.04 69.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.775 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -36.87 68.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . . . -76.46 -35.59 58.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.24 0.543 . . . . 0.0 110.131 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -66.14 -40.68 90.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.737 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.481 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 0.6 OUTLIER -74.94 -42.34 57.88 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.709 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.477 ' HG2' ' HA ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -60.51 -38.57 84.78 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.016 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 86' ' ' ARG . 1.9 t70 -71.39 -37.01 71.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -61.19 -50.32 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.462 179.304 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -70.04 -27.47 64.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.328 -179.742 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -7.68 54.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.732 0.301 . . . . 0.0 110.872 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.331 -0.198 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.156 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.33 -38.4 52.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.825 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -46.26 45.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.282 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -29.84 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -43.48 62.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.076 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -43.57 84.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.856 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.4 -51.26 70.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -66.86 -38.59 86.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.557 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . -60.99 -35.21 76.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 109.972 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.09 -36.25 51.8 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.404 -0.903 . . . . 0.0 110.966 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -40.6 76.48 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-O 120.603 0.239 . . . . 0.0 110.81 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 1.0 OUTLIER -68.02 -53.19 27.69 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.753 0.311 . . . . 0.0 110.623 -179.524 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -57.91 -37.44 74.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.418 ' CD2' HD22 ' A' ' 74' ' ' LEU . 23.4 t80 -70.47 -43.41 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.754 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -42.88 90.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.212 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 2.2 t -74.4 -28.96 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.082 0.468 . . . . 0.0 109.816 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD13 ' CZ3' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -63.34 -44.73 94.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.877 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.737 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 60.4 mt -82.57 -49.35 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 111.638 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' GLN . 57.8 m-20 -68.83 -16.67 63.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 2.9 tp-100 -23.91 -73.14 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.048 -0.978 . . . . 0.0 113.373 -178.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -54.78 152.98 6.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.106 0.479 . . . . 0.0 112.131 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.98 88.68 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -62.01 116.6 5.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.359 0.6 . . . . 0.0 111.048 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -134.68 -66.66 0.59 Allowed 'General case' 0 C--O 1.23 0.068 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.834 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -126.36 91.63 3.4 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.08 88.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.32 -63.39 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.264 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.5 p -32.08 154.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.2 p -50.4 137.31 18.99 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.971 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.508 ' CB ' HD23 ' A' ' 89' ' ' LEU . 3.1 pp20? -74.82 -44.74 47.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.696 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.89 -43.09 69.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.712 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.48 -56.25 23.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.443 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 41.5 tpp -57.97 -42.35 84.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.3 t -56.43 -45.68 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.685 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -63.24 -37.05 85.7 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.596 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 39.2 t -57.68 -36.71 55.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.276 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.515 HG23 ' CE2' ' A' ' 81' ' ' PHE . 32.4 t -70.72 -47.5 63.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.796 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 45' ' ' MET . 3.8 mt-10 -61.37 -44.14 97.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.867 0.365 . . . . 0.0 110.665 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.9 -46.45 84.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.769 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.47 ' CZ3' HD13 ' A' ' 21' ' ' LEU . 16.5 m0 -59.05 -49.41 78.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 1.9 ptm -61.72 -42.06 98.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.09 -44.41 76.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.902 0.382 . . . . 0.0 110.388 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -58.41 -36.56 73.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.442 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.38 -46.29 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.765 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 50' ' ' ASN . 1.4 tp -57.08 -48.92 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.422 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -66.5 -44.56 82.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.909 0.385 . . . . 0.0 111.071 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.76 -27.58 67.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -84.7 -41.34 16.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.762 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 50' ' ' ASN . 13.4 ptm180 -58.08 -40.76 81.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.603 0.24 . . . . 0.0 110.999 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -32.78 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 46.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.758 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 t -148.3 89.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.8 m -92.6 27.58 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.79 -171.84 27.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.165 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.38 161.09 4.39 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HA ' ' CG ' ' A' ' 63' ' ' ARG . 29.2 Cg_endo -62.16 -26.77 78.08 Favored 'Trans proline' 0 CA--C 1.517 -0.343 0 C-N-CA 122.468 2.112 . . . . 0.0 112.164 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 10.4 mt-30 -72.94 -48.42 37.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -43.59 80.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.139 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.437 ' CG ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -74.41 -47.66 32.47 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.079 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.54 -40.45 83.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.997 0.427 . . . . 0.0 110.953 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -73.95 -40.96 62.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.73 -32.21 71.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 0.0 110.62 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.26 -45.93 58.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.689 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 65' ' ' LYS . 11.8 pt20 -63.39 -36.58 84.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.046 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -35.76 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.892 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.44 -51.98 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.174 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -36.61 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.494 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' HG23 ' A' ' 76' ' ' THR . 5.4 tp60 -69.59 -49.3 55.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 8.4 pt-20 -58.53 -43.53 89.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 39.7 mt -65.94 -41.3 91.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.609 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -67.73 -31.99 72.3 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 72' ' ' GLN . 9.1 t -81.88 -28.42 32.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.507 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 mt -81.53 -39.93 23.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.74 -20.15 50.66 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.444 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.54 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -59.11 -54.94 51.46 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.946 -178.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -60.0 -37.63 83.69 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 121.98 1.786 . . . . 0.0 111.785 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.737 ' CD2' ' HB3' ' A' ' 22' ' ' LEU . 2.9 t80 -67.42 -35.54 79.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.414 HD13 ' CG1' ' A' ' 41' ' ' VAL . 6.8 mp -77.54 -39.22 46.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.78 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.56 -36.03 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.152 0.501 . . . . 0.0 109.991 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 6.2 ttpm? -69.59 -46.4 66.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.606 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 6.1 t80 -61.77 -44.99 95.79 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.822 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -57.39 -54.48 46.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.958 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -38.77 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.536 0.684 . . . . 0.0 109.477 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -61.19 -51.37 69.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.975 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.508 HD23 ' CB ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -74.24 -24.89 59.37 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.552 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -87.36 -13.84 42.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.46 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.331 -0.213 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 -179.513 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 120.599 0.238 . . . . 0.0 111.576 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.53 93.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.021 0.439 . . . . 0.0 110.644 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -63.46 -46.45 86.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -65.93 -31.6 72.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.941 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.442 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -65.45 -49.08 70.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.231 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.24 -46.47 90.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.871 0.367 . . . . 0.0 110.826 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mt -58.4 -50.6 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -58.98 -37.21 76.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.785 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.733 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -65.68 -45.91 81.09 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.87 79.01 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.005 -1.093 . . . . 0.0 111.224 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.86 -40.36 63.3 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.569 0.223 . . . . 0.0 110.774 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.733 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -69.44 -43.2 73.81 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.774 0.321 . . . . 0.0 110.384 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.75 -46.73 89.32 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 3.4 t80 -55.51 -49.05 73.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.624 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -56.75 -40.47 75.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.247 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.9 -42.5 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.146 0.498 . . . . 0.0 110.307 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 4.3 tp -58.97 -48.42 81.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.845 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' CD2' ' CD2' ' A' ' 81' ' ' PHE . 16.3 mt -59.8 -42.35 93.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.268 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.95 -33.93 71.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.91 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -85.97 62.25 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.056 0.455 . . . . 0.0 110.936 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG3' ' HE1' ' A' ' 37' ' ' MET . 0.5 OUTLIER -110.93 176.59 4.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.459 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 19.9 t -94.81 62.82 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 121.259 0.552 . . . . 0.0 111.981 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 69.7 m-85 -64.82 167.3 7.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.641 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 27' ' ' PHE . 1.5 m-80 82.36 -88.48 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.602 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 26.8 m-20 -58.42 159.12 6.6 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' HD13 ' A' ' 89' ' ' LEU . . . -126.12 71.09 1.24 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.222 -0.299 . . . . 0.0 110.516 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.511 ' N ' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -152.19 56.64 0.83 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.159 0.504 . . . . 0.0 111.493 -178.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' CG1' ' OH ' ' A' ' 85' ' ' TYR . 13.8 p -133.09 16.15 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.83 112.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.347 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.747 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.7 -35.2 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.764 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.31 -55.45 28.07 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.498 ' HE1' ' CZ ' ' A' ' 85' ' ' TYR . 55.7 tpp -59.34 -46.4 88.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.01 -42.9 80.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.2 m -64.29 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 110.228 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 16.7 t -61.32 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.978 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.62 -43.91 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.845 0.355 . . . . 0.0 110.489 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -39.97 94.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.824 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -38.91 83.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.603 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.462 ' CE3' ' CD2' ' A' ' 21' ' ' LEU . 15.8 m0 -67.33 -48.45 67.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.757 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.404 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 28.0 ttm -57.99 -48.89 78.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.539 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.38 -41.04 98.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.166 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -67.72 -32.17 72.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.553 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.79 -46.32 58.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 45' ' ' MET . 1.3 mp -62.08 -40.41 87.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.582 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 7.1 m120 -68.85 -39.31 79.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.97 -31.87 51.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.891 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.38 -38.28 60.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.586 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 14.3 ptp180 -55.51 -21.58 17.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.572 0.225 . . . . 0.0 111.51 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -75.84 -32.96 60.02 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 111.359 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -86.53 25.97 1.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.827 ' O ' ' N ' ' A' ' 58' ' ' GLY . 9.4 t -94.58 26.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -26.96 -15.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.827 ' N ' ' O ' ' A' ' 56' ' ' VAL . . . -68.15 175.22 28.74 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 176.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.589 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -80.85 177.58 2.92 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 119.503 1.652 . . . . 0.0 111.341 -179.368 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.7 Cg_endo -44.88 -33.97 8.05 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.949 2.433 . . . . 0.0 113.057 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 7.7 pt20 -69.14 -38.74 78.97 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -67.94 -33.5 74.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.578 178.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.516 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -72.02 -55.39 7.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.234 179.339 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -40.58 79.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -76.87 -47.36 21.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.774 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -63.15 -39.16 93.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.046 0.45 . . . . 0.0 110.642 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.5 mt -69.37 -46.01 67.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.448 ' HG2' ' HA ' ' A' ' 65' ' ' LYS . 6.1 pt20 -64.76 -39.01 92.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.903 0.382 . . . . 0.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.4 -35.82 80.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.22 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -51.78 41.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.096 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -36.03 77.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -65.77 -50.28 65.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.19 -33.54 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.342 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 mt -71.27 -50.99 27.0 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.263 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -61.07 -24.8 66.48 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.755 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.2 m -87.29 -22.85 24.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.76 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.36 -38.87 15.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.97 0.414 . . . . 0.0 110.29 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.61 -18.25 45.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.24 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.461 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -59.2 -55.85 42.03 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.052 -179.032 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 43.0 Cg_endo -68.5 -29.11 31.3 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.118 1.879 . . . . 0.0 112.494 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.442 ' CD2' ' CD2' ' A' ' 22' ' ' LEU . 9.5 t80 -73.94 -48.16 32.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.562 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -39.71 94.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.481 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.568 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . . . -70.62 -46.04 64.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 110.311 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -61.37 -38.99 89.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.861 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.498 ' CZ ' ' HE1' ' A' ' 37' ' ' MET . 6.0 t80 -72.47 -43.6 63.47 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.352 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.568 ' HG2' ' HA ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -59.58 -31.76 69.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.173 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 86' ' ' ARG . 0.7 OUTLIER -75.57 -35.02 60.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.038 178.672 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -65.62 -41.99 92.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.875 178.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -74.61 -39.35 62.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.798 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -2.28 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.7 p . . . . . 0 C--N 1.332 -0.164 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.225 -0.186 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.34 -40.5 59.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 0.0 111.45 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -70.18 -46.53 64.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.237 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -27.13 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.675 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -71.96 -46.47 57.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.113 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.27 -43.71 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.917 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 mt -63.73 -51.56 68.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.578 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -34.81 76.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.659 0.266 . . . . 0.0 110.982 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.96 93.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 109.901 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.06 -35.78 89.64 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.39 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -40.08 87.58 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.064 0.459 . . . . 0.0 110.084 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -68.48 -53.07 25.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.064 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.44 -43.09 75.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.455 ' CD2' ' CD2' ' A' ' 74' ' ' LEU . 4.6 t80 -66.33 -43.7 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.636 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -41.85 90.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.52 -40.5 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.488 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' CD1' ' CH2' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -56.55 -47.53 79.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.203 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' A' ' 81' ' ' PHE . 3.9 mt -73.37 -38.25 65.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.687 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -65.91 -19.24 65.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -88.31 57.06 4.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 111.79 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.5 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -110.54 176.75 4.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.09 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 t -97.05 50.55 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 59.3 m-85 -63.07 87.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.999 0.904 . . . . 0.0 110.284 -178.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.424 ' N ' ' CE2' ' A' ' 88' ' ' PHE . 56.9 t30 175.72 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 113.733 -1.576 . . . . 0.0 108.018 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.26 161.11 19.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 113.99 -1.459 . . . . 0.0 107.309 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 31' ' ' LEU . . . -124.14 160.29 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 119.287 0.949 . . . . 0.0 109.505 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' O ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER 173.44 165.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.586 0.231 . . . . 0.0 110.441 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER 61.63 128.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.8 m -53.64 157.81 2.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.43 -44.67 76.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.62 -30.09 65.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.713 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -55.14 30.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.178 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.435 ' HG2' ' CD2' ' A' ' 85' ' ' TYR . 4.1 tpt -57.94 -48.5 79.75 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.6 t -56.18 -44.42 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.63 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.3 m -63.63 -37.95 89.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 109.921 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.463 ' CG1' ' CH2' ' A' ' 44' ' ' TRP . 59.9 t -55.0 -51.53 52.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.554 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.68 -32.77 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.956 0.408 . . . . 0.0 110.091 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -44.11 91.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.415 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.451 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 2.3 p30 -73.05 -39.04 66.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.694 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.481 ' CH2' ' CD1' ' A' ' 21' ' ' LEU . 35.7 m0 -62.66 -49.63 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.969 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.2 ttm -60.7 -48.99 79.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.589 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -63.78 -42.19 97.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.516 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -63.52 -35.72 81.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.548 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.9 -48.79 62.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.0 mm -58.31 -48.47 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.001 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -60.01 -47.83 84.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.094 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -63.25 -49.49 73.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -61.92 -36.77 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HA ' HD23 ' A' ' 67' ' ' LEU . 40.3 tpt85 -52.91 -37.41 60.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.98 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -26.17 20.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.22 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -78.88 -18.56 53.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.885 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 57' ' ' THR . 93.9 t -69.39 -87.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 121.136 -0.226 . . . . 0.0 111.108 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER 87.91 -168.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.694 0.397 . . . . 0.0 110.09 -179.026 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.39 -172.68 54.68 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.678 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 4.3 mt-10 -56.92 167.79 0.99 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 117.12 0.46 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 30.7 Cg_endo -63.57 -28.25 69.9 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.466 2.111 . . . . 0.0 112.595 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -68.82 -48.06 64.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.973 0.416 . . . . 0.0 110.097 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.91 -40.58 84.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -73.52 -55.06 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.91 -38.6 76.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.555 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -72.36 -47.25 50.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.811 0.339 . . . . 0.0 111.273 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.72 89.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.119 0.485 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 53' ' ' ARG . 4.3 mm? -68.37 -45.97 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.147 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 1.1 pp0? -64.54 -32.35 73.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.528 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 5.5 mt-10 -69.46 -40.81 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.078 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.698 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -65.94 -51.81 55.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.005 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 ttm105 -57.58 -34.92 69.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.034 0.445 . . . . 0.0 110.132 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.417 ' HA ' ' ND2' ' A' ' 75' ' ' ASN . 4.6 tp-100 -72.08 -50.5 27.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.037 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.698 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 1.2 pp20? -59.37 -40.24 85.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.036 0.446 . . . . 0.0 110.234 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' CD2' ' CD2' ' A' ' 18' ' ' PHE . 37.9 mt -64.96 -46.92 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.935 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 76' ' ' THR . 25.8 p30 -65.94 -31.09 71.81 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.321 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.487 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 14.3 t -82.82 -28.45 30.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.468 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.95 -41.67 25.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.421 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.66 -21.18 61.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.5 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.492 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -59.08 -56.43 36.19 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.329 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 22.8 Cg_endo -61.57 -37.0 73.22 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.121 1.881 . . . . 0.0 112.476 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.433 ' CE2' HD21 ' A' ' 22' ' ' LEU . 4.1 t80 -63.8 -34.87 78.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -35.09 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.46 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.35 -37.77 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.11 0.481 . . . . 0.0 109.986 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 27' ' ' PHE . 2.7 tttm -63.96 -45.78 87.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.365 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.435 ' CD2' ' HG2' ' A' ' 37' ' ' MET . 2.5 t80 -67.17 -38.92 86.24 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.648 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -60.59 -37.68 82.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.048 0.451 . . . . 0.0 110.342 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -39.33 71.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.424 ' CE2' ' N ' ' A' ' 28' ' ' ASN . 8.9 t80 -73.78 -28.17 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.709 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -48.02 33.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.631 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -26.1 47.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.519 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.502 -179.542 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.664 0.269 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.94 -33.6 25.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.217 0.532 . . . . 0.0 110.224 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.15 -39.82 65.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.854 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -40.16 92.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.221 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.79 -41.44 97.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.742 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -45.9 91.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.461 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 mm -65.1 -51.57 64.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.3 t -60.6 -41.96 95.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.644 0.259 . . . . 0.0 111.169 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.88 89.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.98 0.419 . . . . 0.0 110.208 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -75.05 -30.64 58.82 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.33 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -39.85 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -65.64 -53.11 45.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.192 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 2.4 pp20? -56.17 -39.22 72.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.971 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.487 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 6.8 t80 -60.83 -49.09 78.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.019 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.09 -38.71 80.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.379 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.73 -32.45 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.126 0.488 . . . . 0.0 110.242 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD1' ' CZ3' ' A' ' 44' ' ' TRP . 9.2 tp -77.06 -45.17 27.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.502 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 80.8 mt -66.08 -34.3 77.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' A' ' 25' ' ' GLN . 8.6 m-80 -85.59 -26.73 25.94 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -60.26 14.13 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 14.2 mm-40 -82.77 176.79 9.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 118.238 0.472 . . . . 0.0 110.253 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.3 t -103.03 50.95 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' GLN . 2.2 m-85 -62.64 93.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.393 0.616 . . . . 0.0 110.401 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -156.88 -50.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.475 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.43 108.03 10.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.906 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -71.45 109.93 5.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.923 0.868 . . . . 0.0 112.901 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.574 ' O ' ' CB ' ' A' ' 32' ' ' VAL . 1.8 mp -170.79 170.08 6.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 113.745 -1.571 . . . . 0.0 107.612 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.574 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 1.3 p 112.87 -53.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.246 0.619 . . . . 0.0 111.786 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 11.2 t 146.44 129.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.797 0.439 . . . . 0.0 110.579 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -74.7 -47.01 33.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.66 -29.7 70.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.815 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.39 -56.15 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.429 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.465 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 52.8 tpp -58.05 -47.04 84.34 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.63 -44.86 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.162 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -34.22 77.51 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-O 120.989 0.423 . . . . 0.0 110.388 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.47 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 29.6 t -63.73 -48.97 84.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.05 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.419 HG23 ' CE2' ' A' ' 81' ' ' PHE . 31.3 t -59.94 -47.59 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -41.08 98.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.395 . . . . 0.0 110.698 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -60.99 -50.32 73.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.31 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.472 ' CZ3' ' CD1' ' A' ' 21' ' ' LEU . 49.8 m0 -61.19 -48.78 79.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.509 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.3 ttp -55.76 -48.83 74.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.783 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -63.47 -39.64 94.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.827 0.346 . . . . 0.0 110.959 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -65.82 -38.53 89.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.423 . . . . 0.0 110.455 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 2.5 m-85 -65.49 -48.4 72.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.029 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.1 -48.0 88.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.759 0.314 . . . . 0.0 110.786 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -35.32 77.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.457 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -82.21 -30.68 30.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -76.02 -40.52 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.569 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HA ' ' CD2' ' A' ' 67' ' ' LEU . 4.2 ptm85 -53.4 -30.16 38.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 111.081 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -80.8 -15.18 57.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.468 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -95.48 23.5 5.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.783 0.325 . . . . 0.0 111.475 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' A' ' 57' ' ' THR . 14.1 t -98.99 -83.94 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.041 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 56' ' ' VAL . 2.5 p 88.06 4.51 0.27 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.096 0.558 . . . . 0.0 111.605 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.92 -179.85 48.8 Favored Glycine 0 C--N 1.331 0.302 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 3.7 pm0 -67.45 162.71 53.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 117.817 0.809 . . . . 0.0 110.717 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 5.3 Cg_endo -47.09 -32.32 13.25 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.751 2.301 . . . . 0.0 112.699 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.47 -47.96 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.488 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -35.89 82.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.469 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -70.85 -49.85 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.743 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -36.11 77.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -64.73 -47.33 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.507 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.35 -53.0 59.45 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.727 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 53' ' ' ARG . 3.4 mm? -53.53 -31.95 48.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.648 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -71.96 -41.64 67.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -69.32 -37.38 77.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.251 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -45.42 78.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.144 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -43.14 98.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.516 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -62.53 -49.45 75.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.16 -43.8 95.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.425 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.96 -43.85 94.81 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.411 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -64.79 -36.4 84.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 12.0 m -67.97 -39.53 83.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.362 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -79.46 -37.13 37.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.362 0.601 . . . . 0.0 109.965 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.35 56.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.196 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.517 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.4 m-20 -58.47 -53.91 61.31 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.113 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 31.7 Cg_endo -63.8 -31.37 68.38 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 121.826 1.684 . . . . 0.0 111.964 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.502 ' CG ' ' HB3' ' A' ' 22' ' ' LEU . 10.9 t80 -74.34 -49.75 21.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.241 0.543 . . . . 0.0 111.141 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 tt -73.08 -35.09 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.597 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 86' ' ' ARG . . . -76.74 -37.95 55.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 110.721 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -70.9 -35.04 72.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.947 179.295 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.465 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 30.3 t80 -73.09 -48.13 38.42 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.869 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.58 ' HA ' ' CD1' ' A' ' 89' ' ' LEU . 11.1 ptm180 -59.75 -41.54 91.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.493 0.663 . . . . 0.0 109.849 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' SER . 2.4 m-20 -70.54 -31.83 69.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.216 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 66.6 t80 -66.85 -52.44 43.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.108 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.58 ' CD1' ' HA ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -75.38 -22.34 57.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.555 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -89.08 -14.79 35.51 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.742 0.306 . . . . 0.0 111.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 32.5 t . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 120.887 0.375 . . . . 0.0 111.006 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 120.726 0.298 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.48 81.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.86 -46.54 68.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.667 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -65.29 -37.11 86.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.385 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.87 -48.82 78.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.337 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -45.41 93.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.283 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 mt -62.4 -51.26 74.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.331 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.3 m -64.48 -35.83 82.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.298 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.86 71.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.753 0.311 . . . . 0.0 110.617 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.73 -34.63 83.71 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.524 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -39.79 79.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 110.213 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -53.13 59.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.412 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.31 -41.45 79.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.5 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -59.67 -40.49 87.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -41.57 82.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.525 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.79 -36.92 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.144 0.497 . . . . 0.0 110.781 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.407 HD13 ' CH2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -79.25 -42.35 26.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.838 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.528 ' CD2' ' CD2' ' A' ' 81' ' ' PHE . 5.2 tt -65.83 -36.59 83.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.04 -0.42 44.29 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.03 21.31 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.608 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 46.2 mm-40 -76.72 176.77 8.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.713 0.292 . . . . 0.0 110.964 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 31' ' ' LEU . 14.6 p -106.46 51.47 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.608 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 98.5 m-85 -62.74 85.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.858 0.837 . . . . 0.0 110.447 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 175.27 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.137 -1.392 . . . . 0.0 107.738 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.15 160.69 29.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.78 156.87 37.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 119.868 1.213 . . . . 0.0 109.38 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -139.71 6.77 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.696 -0.402 . . . . 0.0 112.052 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.9 p -170.36 161.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.923 0.392 . . . . 0.0 111.719 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.74 165.43 6.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -66.6 -34.95 79.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -37.8 76.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.6 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.67 -53.71 55.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.273 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.444 ' CG ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.91 -43.32 86.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.3 t -56.43 -44.68 80.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.999 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.8 m -68.99 -38.03 79.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 110.157 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.9 t -60.51 -49.6 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.599 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.39 -48.03 88.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.371 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -38.88 90.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.73 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -51.23 68.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.974 0.416 . . . . 0.0 110.348 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.407 ' CH2' HD13 ' A' ' 21' ' ' LEU . 50.7 m0 -58.89 -47.34 85.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.773 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 41.1 ttp -60.69 -45.12 95.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -66.38 -43.26 86.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.016 0.436 . . . . 0.0 110.447 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -63.84 -36.2 83.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.721 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -75.1 -46.07 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 50' ' ' ASN . 3.6 tp -61.01 -45.23 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.999 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -67.88 -48.01 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.291 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -59.96 -46.1 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -68.61 -30.91 69.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.699 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -32.48 52.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -82.03 -32.65 30.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -68.36 50.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.251 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.2 OUTLIER -147.67 177.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.161 179.696 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 4.2 t 143.91 -15.97 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.994 0.809 . . . . 0.0 110.827 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . -70.75 0.65 26.91 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.009 -0.615 . . . . 0.0 114.135 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 1.4 pt-20 153.74 149.21 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 117.431 0.615 . . . . 0.0 111.308 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.88 -31.29 84.9 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.363 2.042 . . . . 0.0 110.657 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -69.45 -29.79 67.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.579 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.491 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -71.03 -53.15 15.76 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.938 179.123 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -64.5 -54.9 25.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.464 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.79 -44.66 82.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.966 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -77.39 -36.84 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.705 0.288 . . . . 0.0 111.632 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -66.33 -49.68 66.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 0.0 110.551 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.09 -42.2 85.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.301 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -38.68 81.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 110.485 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -69.55 -32.77 71.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.019 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -51.97 27.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -57.29 -36.48 71.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.685 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -74.51 -50.53 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.708 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -56.63 -51.04 70.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.076 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.62 -48.75 80.45 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.581 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -57.85 -26.99 62.81 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.467 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.25 -23.34 28.26 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.38 -49.05 11.14 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.234 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.04 -21.82 64.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.277 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.432 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -58.62 -59.57 13.18 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.688 -178.531 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 34.2 Cg_endo -64.24 -25.73 64.7 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.18 1.92 . . . . 0.0 112.355 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.528 ' CD2' ' CD2' ' A' ' 22' ' ' LEU . 1.4 t80 -73.31 -47.53 41.95 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.943 0.402 . . . . 0.0 111.216 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -63.85 -39.76 94.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.062 -179.65 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.71 -34.76 69.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.042 0.449 . . . . 0.0 110.01 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -45.21 87.26 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.746 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.444 ' CE2' ' CG ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -74.58 -28.74 61.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.897 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -72.21 -41.79 66.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.547 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 91' ' ' SER . 0.1 OUTLIER -69.14 -41.89 76.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.434 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 1.5 t80 -70.61 -35.07 72.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.461 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -44.84 52.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.494 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -26.22 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 73.3 p . . . . . 0 C--N 1.331 -0.224 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 tptp . . . . . 0 N--CA 1.461 0.079 0 CA-C-O 120.743 0.306 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.58 -46.53 66.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.095 0.474 . . . . 0.0 110.341 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -73.54 -45.27 54.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.267 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -60.97 -43.57 98.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.343 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.73 -43.66 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.194 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -45.54 85.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.899 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.52 -51.5 67.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.306 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -60.43 -41.95 95.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.82 92.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.0 110.291 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.13 -28.57 71.41 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.653 -0.785 . . . . 0.0 111.528 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.21 -39.83 68.28 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.638 0.256 . . . . 0.0 110.865 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HG2' ' N ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -71.13 -43.23 68.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.76 0.314 . . . . 0.0 110.961 -179.62 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 5.1 tt0 -63.58 -44.3 94.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.318 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.477 ' CE2' ' CD1' ' A' ' 22' ' ' LEU . 10.4 t80 -64.8 -43.53 92.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.738 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 p -63.18 -41.67 99.24 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 t -69.74 -41.25 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.309 0.576 . . . . 0.0 110.238 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD1' ' CZ3' ' A' ' 44' ' ' TRP . 2.8 tp -61.03 -49.05 78.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.025 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.482 HD21 ' CE2' ' A' ' 81' ' ' PHE . 90.3 mt -69.26 -31.9 70.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.949 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.521 ' C ' ' H ' ' A' ' 25' ' ' GLN . 18.7 m-80 -84.06 -32.2 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -59.28 24.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' H ' ' C ' ' A' ' 23' ' ' ASN . 15.8 mm-40 -88.07 176.78 7.14 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.894 -0.504 . . . . 0.0 109.945 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.4 m -102.45 50.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 31.5 m-85 -62.93 101.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.388 0.613 . . . . 0.0 110.841 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -170.01 -46.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.785 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.47 101.93 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.284 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.05 115.41 10.16 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 122.236 1.017 . . . . 0.0 113.109 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.588 ' O ' ' CB ' ' A' ' 32' ' ' VAL . 0.6 OUTLIER 179.69 160.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 113.272 -1.786 . . . . 0.0 107.941 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.7 p 126.43 -51.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.203 0.601 . . . . 0.0 110.728 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 3.4 t 150.44 129.13 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.929 0.491 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.406 ' HB2' ' CD2' ' A' ' 89' ' ' LEU . 42.1 tt0 -74.63 -47.19 33.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.969 0.414 . . . . 0.0 111.526 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -28.95 67.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.254 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.96 -54.58 32.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 0.0 110.137 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.447 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.94 -50.29 73.86 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.632 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.28 -44.68 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.0 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.5 m -63.17 -35.73 81.28 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.416 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.467 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 45.6 t -62.48 -49.13 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.424 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 47.0 t -59.68 -48.85 85.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.759 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -43.59 96.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.757 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -50.66 72.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.467 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 45.8 m0 -59.39 -48.62 80.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.964 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.5 ttp -55.24 -48.98 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.301 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -62.82 -42.41 99.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -63.86 -33.57 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -69.84 -49.62 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.79 -50.99 77.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.76 -43.72 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.367 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -66.47 -49.6 66.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 111.153 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -61.68 -33.63 74.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.41 -38.77 69.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -84.35 -0.61 53.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.579 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.91 30.25 5.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.716 0.293 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 t -143.14 118.22 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.158 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -160.86 56.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . -135.07 10.56 4.47 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.621 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 1.3 pt-20 147.6 144.62 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.556 0 C-N-CA 123.571 0.748 . . . . 0.0 110.691 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.94 -28.17 76.59 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.217 1.944 . . . . 0.0 110.725 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -71.1 -33.78 70.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.169 178.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.621 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -70.69 -41.47 71.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.429 179.251 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -73.37 -55.85 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.063 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.56 -41.24 89.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -76.86 -37.19 56.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.881 -179.053 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -74.56 -37.13 63.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.966 0.412 . . . . 0.0 110.769 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.0 mt -72.08 -38.59 69.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.202 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -68.45 -39.95 81.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.94 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -33.84 75.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.827 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.68 -52.1 48.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.223 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -58.85 -37.19 75.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.078 0.466 . . . . 0.0 110.354 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -70.77 -46.58 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.697 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.455 ' CG ' HD21 ' A' ' 74' ' ' LEU . 7.8 pt-20 -68.57 -22.89 64.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.741 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 HD21 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -79.82 -48.38 13.64 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.957 178.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 55.5 m-80 -67.06 -25.93 66.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.6 m -83.29 -33.14 26.03 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.94 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.4 -33.25 25.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.082 0.467 . . . . 0.0 110.262 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.6 -21.21 38.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.136 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -59.12 -52.25 76.01 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 -178.498 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 42.9 Cg_endo -68.73 -31.2 26.25 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 121.97 1.78 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.482 ' CE2' HD21 ' A' ' 22' ' ' LEU . 1.7 t80 -71.92 -46.36 57.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.476 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.6 mt -69.69 -39.77 76.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.334 -0.394 . . . . 0.0 112.002 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.08 -35.13 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.019 0.438 . . . . 0.0 110.411 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -67.17 -38.11 84.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.343 179.537 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 37' ' ' MET . 8.0 t80 -71.18 -44.37 65.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.708 0.289 . . . . 0.0 111.216 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -54.46 46.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.027 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -62.3 -38.6 90.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.091 0.472 . . . . 0.0 110.241 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 26.5 t80 -64.08 -41.72 97.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' A' ' 34' ' ' GLU . 15.0 tp -74.3 -33.19 63.13 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -89.89 -18.65 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.714 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.645 0.26 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.4 -38.19 52.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.971 0.415 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -72.36 -46.61 54.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.766 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -34.12 76.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.593 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -68.95 -44.08 73.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.116 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -45.17 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.85 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mm -63.46 -51.11 74.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.744 0.307 . . . . 0.0 110.749 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 t -65.43 -39.41 92.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.05 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.094 0.473 . . . . 0.0 110.229 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.01 -39.1 59.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.202 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -39.66 82.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.562 0.22 . . . . 0.0 110.866 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -53.21 44.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.958 0.408 . . . . 0.0 110.472 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.26 -37.3 72.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.282 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 3.4 t80 -68.66 -42.7 77.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.552 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.4 p -61.56 -40.17 93.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.806 0.336 . . . . 0.0 111.101 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.7 t -71.56 -37.54 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.403 0.621 . . . . 0.0 109.767 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' CD1' ' CH2' ' A' ' 44' ' ' TRP . 10.6 tp -61.55 -49.2 77.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.725 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 18' ' ' PHE . 52.3 mt -69.57 -32.7 71.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.066 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.558 ' C ' ' H ' ' A' ' 25' ' ' GLN . 12.9 m-20 -76.84 -34.27 57.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -59.72 21.12 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.558 ' H ' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -81.47 176.64 9.52 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.746 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.11 50.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.776 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 25' ' ' GLN . 30.4 m-85 -62.6 96.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.782 0.801 . . . . 0.0 110.406 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -171.24 -69.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.421 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.32 92.13 3.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.591 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.422 ' HB1' ' CE1' ' A' ' 88' ' ' PHE . . . -72.88 101.99 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.141 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -135.27 38.88 2.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.995 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 33' ' ' SER . 0.9 OUTLIER -120.35 -91.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.47 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.424 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -167.39 138.49 3.06 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.926 0.393 . . . . 0.0 111.051 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . 4.8 tp10 -74.74 -47.15 32.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.666 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.67 -33.24 75.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.558 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -55.51 29.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.35 . . . . 0.0 110.148 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.414 ' CE ' ' NE2' ' A' ' 25' ' ' GLN . 37.2 tpp -57.78 -48.78 78.69 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.01 -45.16 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.953 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 m -63.52 -34.74 78.44 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.299 -0.561 . . . . 0.0 110.455 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.462 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 26.0 t -62.15 -51.18 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.215 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.429 HG23 ' CE2' ' A' ' 81' ' ' PHE . 39.8 t -59.42 -49.29 84.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -44.73 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.11 -41.16 91.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.192 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.463 ' CH2' ' CD1' ' A' ' 21' ' ' LEU . 31.3 m0 -66.0 -49.14 68.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.879 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 30.0 ttm -54.1 -49.01 70.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.325 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -42.18 98.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.947 0.403 . . . . 0.0 110.357 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 67.6 t80 -60.74 -36.28 78.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.825 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -69.06 -49.17 59.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.182 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.03 -53.22 45.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.698 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -67.19 -33.46 75.44 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 47' ' ' PHE . 23.3 t80 -73.14 -49.57 27.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.873 0.368 . . . . 0.0 111.206 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -62.2 -35.17 78.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -56.04 -40.31 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.137 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -88.51 -6.41 57.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.119 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' OE1' ' CD2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -96.64 37.39 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.965 0.412 . . . . 0.0 111.099 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.504 ' HB ' ' HD3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -131.66 -162.16 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 -179.629 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.425 ' H ' ' HD3' ' A' ' 63' ' ' ARG . 0.1 OUTLIER 175.2 17.49 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 179.196 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.636 ' H ' ' CD ' ' A' ' 63' ' ' ARG . . . -101.67 -167.02 27.37 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 63' ' ' ARG . 1.9 mp0 -59.59 160.34 14.43 Favored Pre-proline 0 CA--C 1.528 0.099 0 CA-C-N 117.567 0.684 . . . . 0.0 111.194 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.05 -30.04 32.77 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.76 2.307 . . . . 0.0 112.971 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -73.07 -44.92 59.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.462 ' HB3' HH21 ' A' ' 63' ' ' ARG . 1.0 OUTLIER -67.67 -42.4 82.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.619 179.512 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.636 ' CD ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -65.74 -43.8 87.91 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.473 179.332 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.43 -39.89 81.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.138 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -47.58 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.753 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.57 -52.08 54.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -48.53 -39.0 21.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.409 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 3.1 mt-30 -65.78 -50.5 64.49 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.016 0.436 . . . . 0.0 110.361 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.98 -38.02 78.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.296 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -47.48 85.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.176 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -57.73 -50.99 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.186 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 68' ' ' GLN . 2.3 mm100 -57.78 -50.33 73.61 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.81 0.338 . . . . 0.0 111.05 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.37 -49.51 72.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.812 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.412 HD21 ' CE2' ' A' ' 18' ' ' PHE . 46.5 mt -57.14 -43.35 82.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -65.88 -48.83 70.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.171 0.51 . . . . 0.0 109.841 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.426 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 32.6 m -58.38 -34.08 70.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.391 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -80.09 -48.43 13.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.711 0.767 . . . . 0.0 109.165 178.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.43 -28.87 70.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.373 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.446 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -58.31 -58.61 17.65 Favored Pre-proline 0 CA--C 1.53 0.184 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 14.1 Cg_endo -57.48 -31.85 92.52 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 121.756 1.637 . . . . 0.0 112.113 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.429 ' CE2' HG23 ' A' ' 41' ' ' VAL . 2.0 t80 -70.68 -39.79 73.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.566 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.53 -39.61 58.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.452 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.26 66.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.785 0.326 . . . . 0.0 110.688 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -70.96 -37.72 72.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.583 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.29 -39.51 74.81 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.738 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -54.54 37.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.947 0.404 . . . . 0.0 110.033 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -35.82 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.87 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.422 ' CE1' ' HB1' ' A' ' 30' ' ' ALA . 3.1 t80 -60.92 -49.88 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 34' ' ' GLU . 58.4 mt -74.1 -26.88 60.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.762 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -88.29 -10.48 49.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.272 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.0 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.384 -179.607 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.436 ' HA ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.94 82.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.349 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.464 ' O ' HG13 ' A' ' 11' ' ' ILE . 65.1 t30 -67.84 -46.52 71.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -68.41 -39.68 81.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.86 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.528 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.423 HD13 ' CE1' ' A' ' 52' ' ' TYR . 1.3 mm? -62.38 -45.78 91.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.43 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 7' ' ' ASN . 16.0 mt -62.96 -51.59 70.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.531 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -67.47 -36.91 82.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.563 0.22 . . . . 0.0 111.222 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.644 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -64.96 -44.65 88.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.967 0.413 . . . . 0.0 110.512 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.18 -34.42 75.54 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.118 -1.039 . . . . 0.0 111.288 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.75 -40.5 69.31 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 121.236 -0.186 . . . . 0.0 110.656 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -65.87 -43.3 88.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.835 0.35 . . . . 0.0 110.142 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -40.86 96.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.985 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CE2' HD12 ' A' ' 22' ' ' LEU . 7.8 t80 -59.11 -49.09 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.809 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -42.55 90.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.462 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.02 -35.64 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.06 0.457 . . . . 0.0 110.467 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD1' ' CH2' ' A' ' 44' ' ' TRP . 1.1 tp -72.54 -45.42 59.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.469 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD12 ' CE2' ' A' ' 18' ' ' PHE . 26.3 mt -63.08 -35.27 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.734 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -6.38 57.13 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -97.22 48.55 1.04 Allowed 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.582 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.8 mp0 -110.96 176.62 4.95 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 t -93.34 50.06 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 60.6 m-85 -63.54 85.62 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.748 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -159.12 -53.93 0.06 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.969 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -125.79 92.08 3.53 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.256 0.55 . . . . 0.0 111.611 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.718 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . -73.32 166.11 23.79 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -177.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.718 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 4.0 mm? 118.2 71.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.287 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.524 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 4.3 p 144.58 -52.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 122.977 0.511 . . . . 0.0 111.348 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 37' ' ' MET . 39.0 m -55.33 -21.76 16.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.313 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.62 -48.27 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.216 -179.341 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -72.99 -53.23 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.294 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.38 -52.21 66.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.47 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.521 ' HB2' ' O ' ' A' ' 33' ' ' SER . 4.0 ttm -57.72 -42.56 84.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.753 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 2.4 t -56.68 -45.2 82.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.77 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -69.13 -37.39 78.29 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 121.074 0.464 . . . . 0.0 110.023 179.174 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.471 HG11 ' CE3' ' A' ' 44' ' ' TRP . 47.0 t -58.59 -51.59 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.717 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.06 -45.09 96.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.448 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.73 -41.74 98.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.674 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -48.01 70.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.77 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.484 ' CH2' ' CD1' ' A' ' 21' ' ' LEU . 24.7 m0 -58.75 -48.63 80.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.568 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 31.3 ttm -57.01 -48.08 79.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -61.23 -42.75 99.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -61.92 -34.48 76.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.015 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -72.24 -46.55 55.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.53 -49.94 78.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.045 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -64.72 -47.0 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -60.11 -49.41 77.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.423 ' CE1' HD13 ' A' ' 10' ' ' LEU . 2.9 m-85 -63.22 -31.89 73.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.77 -37.82 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.784 179.513 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -87.84 -21.75 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.81 31.43 0.96 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.804 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.653 ' O ' ' OG1' ' A' ' 57' ' ' THR . 21.4 t -66.97 -111.8 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.653 ' OG1' ' O ' ' A' ' 56' ' ' VAL . 21.9 p 126.61 -33.91 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.281 1.032 . . . . 0.0 110.855 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.77 -178.16 42.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.113 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.5 mp0 -72.26 172.61 7.03 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 122.239 0.216 . . . . 0.0 110.993 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.521 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.1 Cg_endo -44.99 -35.75 10.52 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.739 2.293 . . . . 0.0 112.623 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -70.97 -48.18 54.78 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -33.03 73.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.285 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 56' ' ' VAL . 24.3 ttm180 -74.36 -55.66 5.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.924 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.76 -36.83 72.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.165 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -47.13 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.15 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.6 98.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.771 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.4 HD22 ' HG3' ' A' ' 63' ' ' ARG . 3.4 mm? -67.73 -41.74 83.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.204 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -69.83 -31.99 70.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.777 0.322 . . . . 0.0 110.759 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HA ' ' HG2' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -71.69 -36.73 70.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.113 0.482 . . . . 0.0 110.193 179.417 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -51.54 58.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.688 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -57.62 -43.66 84.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.576 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 6.1 pt20 -64.38 -39.46 93.9 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.59 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' O ' HG21 ' A' ' 76' ' ' THR . 45.1 mm-40 -64.83 -41.92 95.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.418 HD21 ' CZ ' ' A' ' 18' ' ' PHE . 80.1 mt -65.71 -45.09 84.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.0 -35.92 82.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.014 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.454 HG21 ' O ' ' A' ' 73' ' ' GLU . 1.6 t -80.04 -25.46 40.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.349 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.29 -43.84 20.6 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.8 -19.64 57.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.574 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.496 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -58.85 -54.47 56.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.059 -178.607 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 32.2 Cg_endo -65.2 -32.12 52.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 121.931 1.754 . . . . 0.0 112.041 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 81' ' ' PHE . 1.9 t80 -71.0 -42.31 69.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.99 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 tt -71.42 -40.18 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.456 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.498 ' O ' ' HG3' ' A' ' 86' ' ' ARG . . . -74.95 -33.25 61.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.101 0.477 . . . . 0.0 110.482 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -68.12 -39.74 82.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.135 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.67 -47.84 57.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.461 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -57.45 -42.19 82.02 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.398 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -38.65 91.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.21 -51.23 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.421 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -74.33 -25.53 59.6 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.859 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 1.9 mptt -87.26 -34.13 19.03 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.635 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.872 0.368 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.07 -34.87 31.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -40.36 88.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.206 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -68.62 -31.12 70.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.466 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 13.5 t0 -65.85 -49.14 69.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.998 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -44.02 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.947 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.409 HG23 HD11 ' A' ' 15' ' ' LEU . 63.3 mt -61.11 -50.63 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.505 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.6 t -58.95 -42.19 89.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.326 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.57 91.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 110.399 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.22 -33.81 83.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.658 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.409 HD11 HG23 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -67.85 -39.5 83.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.339 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -61.74 -53.12 60.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.232 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.53 -43.04 84.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.424 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 22' ' ' LEU . 5.0 t80 -56.27 -44.22 79.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.191 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -66.93 -38.91 87.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.341 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 24' ' ' GLN . 3.6 t -62.59 -41.35 91.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.21 0.528 . . . . 0.0 110.232 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -74.44 -38.62 62.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.666 179.048 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD21 ' CD2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -56.48 -36.58 69.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.478 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -98.68 -13.36 20.32 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 21' ' ' LEU . 5.3 pt20 -65.16 -2.06 2.64 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.686 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 46.3 mm-40 -76.23 176.53 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.182 -0.324 . . . . 0.0 110.448 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 m -102.47 50.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.686 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 94.0 m-85 -62.63 85.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.347 0.594 . . . . 0.0 111.432 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -134.56 -68.41 0.54 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.485 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.456 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -126.32 126.89 44.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.386 178.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.56 94.86 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.296 0.57 . . . . 0.0 112.457 -177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -140.75 45.59 1.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.227 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.1 p -133.41 -76.13 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.465 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 174.3 135.2 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.769 0.319 . . . . 0.0 110.753 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB3' ' CD2' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -74.77 -47.08 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.606 -179.568 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.15 -28.95 66.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -63.74 -55.45 23.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.46 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 40.0 tpp -57.88 -48.58 79.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.0 t -56.62 -44.64 81.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.849 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.2 m -63.67 -33.26 75.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.498 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 48.6 t -69.08 -41.11 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.703 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 24.2 t -59.51 -55.58 22.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.086 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 45' ' ' MET . 0.0 OUTLIER -61.9 -34.7 76.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.374 179.744 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -46.07 89.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.498 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 43.3 m0 -65.53 -49.02 70.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.681 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 27.5 ptm -57.72 -45.93 85.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.544 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.32 -40.15 89.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -66.28 -36.18 82.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -67.57 -46.53 72.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.6 mm -60.22 -56.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.3 -35.92 70.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.431 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -73.48 -49.51 26.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 111.781 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.413 ' HA ' ' CG ' ' A' ' 55' ' ' GLN . 8.4 m-85 -60.02 -31.25 69.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.798 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -54.54 -31.93 57.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 111.236 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -77.6 -22.56 50.66 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 52' ' ' TYR . 4.4 pt20 -96.78 28.4 3.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.032 0.444 . . . . 0.0 111.38 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 57' ' ' THR . 48.5 t -81.27 -91.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.002 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.53 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 3.6 m 96.1 -16.79 0.08 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.964 0.506 . . . . 0.0 111.395 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.16 177.95 53.0 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.13 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.526 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.4 mp0 -76.51 172.57 9.22 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 117.723 0.761 . . . . 0.0 110.794 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.6 Cg_endo -44.94 -32.17 6.13 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.834 2.356 . . . . 0.0 113.024 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -73.34 -46.02 51.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.219 0.533 . . . . 0.0 109.741 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.71 -37.07 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.941 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.521 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -70.91 -54.12 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.943 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -35.58 81.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.377 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -68.16 -47.55 67.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.671 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.88 -52.29 45.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.267 0.556 . . . . 0.0 109.551 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.96 -32.78 64.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.403 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -50.3 31.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.41 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -62.91 -33.43 75.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.99 179.408 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.61 -50.44 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.094 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -46.01 91.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.733 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -64.36 -38.48 91.2 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.373 -179.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 72' ' ' GLN . 1.0 OUTLIER -69.38 -41.53 76.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.712 0.291 . . . . 0.0 110.218 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 18' ' ' PHE . 61.2 mt -60.37 -42.89 96.72 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -64.73 -35.49 81.24 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.9 m -68.81 -41.11 79.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.226 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -76.64 -37.81 55.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.263 0.554 . . . . 0.0 110.012 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.41 61.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.81 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.475 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -59.06 -57.5 26.65 Favored Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.361 -178.606 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -59.99 -31.3 93.35 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.034 1.823 . . . . 0.0 112.357 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.465 ' CE2' ' CG2' ' A' ' 41' ' ' VAL . 1.2 t80 -67.54 -43.05 81.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.928 0.394 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -46.23 83.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.44 75.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.439 . . . . 0.0 110.018 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -61.96 -44.33 96.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.004 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' A' ' 37' ' ' MET . 4.4 t80 -67.22 -38.17 84.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.57 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -61.57 -51.09 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.712 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.35 -37.1 86.3 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.308 0.575 . . . . 0.0 110.153 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -63.71 -40.78 97.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.581 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 8.2 tp -74.3 -35.74 63.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.186 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.493 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 13.8 mmtp -68.48 -27.33 66.06 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.473 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.183 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.81 -44.8 74.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.216 0.531 . . . . 0.0 111.072 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.42 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 25.3 p30 -72.17 -34.19 68.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.351 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' HA ' HG21 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -69.43 -29.5 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.379 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.12 -43.64 56.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.698 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -33.91 44.26 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.554 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.507 ' CG2' ' N ' ' A' ' 12' ' ' SER . 4.7 tt -64.62 -52.04 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.558 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.507 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 74.2 p -66.67 -36.95 83.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.535 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.63 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . -65.63 -46.07 80.67 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.65 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -69.15 -31.85 72.29 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.504 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -73.88 -40.32 63.29 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.799 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -63.47 -53.11 57.3 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 2.2 tp10 -57.8 -41.62 82.53 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.016 0.436 . . . . 0.0 109.92 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 33.5 t80 -57.97 -45.16 87.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.353 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 57.6 p -66.2 -39.17 89.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.714 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.72 -38.96 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.211 0.529 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -76.95 -41.23 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.575 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -72.57 -42.29 64.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.554 ' HB2' ' O ' ' A' ' 19' ' ' SER . 1.4 t-20 -69.64 -28.68 66.1 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.19 6.32 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 1.4 mp0 -70.98 146.88 49.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.0 m -84.99 127.11 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.322 . . . . 0.0 111.834 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' ' CD2' ' A' ' 85' ' ' TYR . 19.2 m-85 -132.2 85.42 2.24 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.306 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -141.23 -55.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.295 0.569 . . . . 0.0 109.54 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.422 ' O ' HD11 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -126.17 110.16 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.418 178.487 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.16 142.65 49.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.904 0.859 . . . . 0.0 113.21 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -174.91 -28.34 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.293 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.473 ' N ' HD23 ' A' ' 31' ' ' LEU . 7.6 p -55.17 -18.6 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 1.1 t 85.55 154.94 0.08 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.953 0.406 . . . . 0.0 110.709 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.55 -47.14 50.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.517 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -34.47 75.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.719 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -56.21 18.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 110.451 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.551 ' HG3' ' CE2' ' A' ' 85' ' ' TYR . 1.1 tmt? -60.25 -44.45 95.24 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -56.52 -44.39 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.389 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.4 m -66.55 -29.66 69.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.504 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.495 ' HA ' ' OD2' ' A' ' 43' ' ' ASP . 60.1 t -65.36 -52.21 54.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.207 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.2 t -66.0 -35.83 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.608 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -43.04 85.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.497 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.495 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 3.6 p30 -68.98 -40.07 79.04 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.096 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.48 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 48.8 m0 -62.71 -48.76 77.84 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.01 0.433 . . . . 0.0 110.369 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 21.1 ttm -59.62 -43.11 93.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.653 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' HG21 ' A' ' 49' ' ' ILE . 3.3 m-80 -66.85 -40.53 87.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.86 0.362 . . . . 0.0 110.66 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -66.87 -44.85 79.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.261 0.553 . . . . 0.0 109.72 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -64.14 -49.27 72.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.536 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 50' ' ' ASN . 1.1 tp -60.64 -43.71 95.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.974 0.416 . . . . 0.0 110.722 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.424 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 8.1 m120 -66.28 -26.4 67.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -79.66 -40.21 29.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 111.435 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -80.74 -29.97 36.25 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -59.92 -36.88 77.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.163 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -78.9 0.13 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.639 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.54 28.9 8.38 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.14 0.495 . . . . 0.0 110.232 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.61 ' O ' ' O ' ' A' ' 57' ' ' THR . 16.8 t -91.68 -90.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.845 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.61 ' O ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER 40.51 116.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 179.403 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.5 ' C ' ' HG2' ' A' ' 59' ' ' GLU . . . 148.43 -8.33 1.02 Allowed Glycine 0 CA--C 1.523 0.551 0 C-N-CA 120.05 -1.072 . . . . 0.0 113.283 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.501 ' CG ' ' HB2' ' A' ' 62' ' ' GLU . 4.5 pt-20 149.42 144.0 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 123.219 0.607 . . . . 0.0 110.979 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.62 -37.03 98.29 Favored 'Trans proline' 0 CA--C 1.514 -0.524 0 C-N-CA 122.342 2.028 . . . . 0.0 110.627 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -63.78 -29.95 71.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.413 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.501 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -71.74 -45.2 62.47 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.023 178.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.444 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -66.14 -54.99 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.101 179.433 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -57.42 -42.15 81.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.978 -179.121 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -77.24 -43.01 35.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.0 111.678 -179.543 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.97 -42.71 94.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.929 0.395 . . . . 0.0 111.234 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.43 -35.4 58.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 2.2 tp-100 -71.42 -41.9 68.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.378 . . . . 0.0 110.101 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.06 -40.61 91.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.69 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -51.55 67.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.091 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -60.69 -32.75 71.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.526 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -69.41 -46.73 66.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.255 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.21 -44.49 97.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.236 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.94 -45.3 89.81 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.238 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -62.57 -36.13 81.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.967 0.413 . . . . 0.0 110.016 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.9 p -72.21 -34.05 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.46 -40.87 28.81 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.125 0.488 . . . . 0.0 110.226 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.61 -15.06 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.544 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.454 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -59.0 -64.2 3.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.629 -178.755 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 79' ' ' ASN . 53.8 Cg_endo -68.66 -19.82 41.28 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.225 1.95 . . . . 0.0 112.113 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.444 ' CG ' HD23 ' A' ' 22' ' ' LEU . 7.1 t80 -73.99 -50.6 19.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -38.47 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.057 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.21 -43.67 77.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.504 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -42.91 88.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.738 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CD2' ' CE2' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -72.69 -48.92 35.05 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.259 -179.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.55 -41.65 86.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.969 0.414 . . . . 0.0 110.642 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 91' ' ' SER . 0.7 OUTLIER -71.87 -32.55 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.176 179.456 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 2.0 t80 -71.12 -42.96 68.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.405 HD22 ' O ' ' A' ' 85' ' ' TYR . 2.7 pp -74.26 -35.14 63.78 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 -14.43 34.52 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 9.0 t . . . . . 0 C--N 1.33 -0.249 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.288 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.67 -30.65 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.446 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 23.2 p-10 -66.82 -46.61 74.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.112 0.482 . . . . 0.0 109.972 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 4.4 ttmm -67.22 -36.6 82.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.862 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.44 -37.3 83.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.677 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -45.58 76.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.497 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.6 -51.33 73.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.738 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -40.26 90.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.687 0.28 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.87 95.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 110.181 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.28 91.38 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.242 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -39.51 87.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.565 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 tttp -70.67 -53.08 17.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.91 -40.73 63.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.21 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' HD23 ' A' ' 74' ' ' LEU . 5.7 t80 -64.23 -47.79 78.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.784 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 p -55.25 -39.87 70.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.821 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.68 -35.68 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.246 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.61 -49.28 78.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.364 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.83 -40.74 75.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.644 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 25' ' ' GLN . 1.9 m-80 -66.4 -40.38 89.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.716 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -78.0 27.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.78 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 8.5 tp60 -89.75 156.13 18.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 110.305 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.0 t -63.38 112.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 70.4 m-85 -140.06 85.3 2.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.222 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.45 ' N ' ' CE2' ' A' ' 88' ' ' PHE . 5.2 m-80 -156.82 -62.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.05 0.452 . . . . 0.0 110.673 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 12.3 t70 -126.27 99.55 5.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.238 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.476 ' CB ' ' CE1' ' A' ' 88' ' ' PHE . . . -70.98 100.79 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.095 0.95 . . . . 0.0 112.727 -176.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 29' ' ' ASP . 2.4 pt? -130.75 37.55 3.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.145 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.61 158.52 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 151.74 45.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.771 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 89' ' ' LEU . 6.6 tp10 -74.03 -47.03 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -60.38 -28.99 68.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.349 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.27 -56.36 21.37 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.71 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.476 ' HE1' ' CG ' ' A' ' 85' ' ' TYR . 13.9 tmm? -58.26 -46.59 85.7 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.6 t -56.56 -44.69 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.273 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.8 m -63.22 -38.01 89.5 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.161 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.65 -41.04 86.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.011 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -65.89 -51.75 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.55 -42.7 97.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.577 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.58 -48.15 76.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -59.83 -49.11 78.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.007 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.403 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 26.6 ttp -56.67 -49.0 76.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 111.225 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -60.41 -43.38 96.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.11 -31.8 73.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.263 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -51.69 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.714 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 45' ' ' MET . 2.1 mp -56.23 -42.29 72.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.804 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.74 -39.86 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.943 0.401 . . . . 0.0 110.94 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -72.55 -33.17 66.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.894 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.465 ' CD2' ' CD2' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -76.63 -42.94 40.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.581 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' NH1' ' HG3' ' A' ' 54' ' ' GLN . 5.1 ptm180 -51.93 -33.91 39.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.736 0.303 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.405 ' HG3' ' NH1' ' A' ' 53' ' ' ARG . 2.0 mt-30 -81.8 -18.88 42.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.316 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -91.76 28.65 1.73 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.475 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 t -111.81 139.48 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.029 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.07 -1.31 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.473 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.64 169.96 45.58 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.342 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 2.3 pt-20 -61.31 162.12 15.45 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 7.5 Cg_endo -49.26 -29.3 16.77 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.858 2.372 . . . . 0.0 112.4 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.29 -45.93 52.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.038 0.446 . . . . 0.0 110.074 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -72.58 -33.45 66.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.489 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.8 ttp85 -67.81 -52.5 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.507 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.07 -42.41 96.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -58.92 -47.24 85.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.22 -26.64 63.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.708 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.79 -39.75 61.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.247 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.81 -41.93 77.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.232 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.56 -41.37 96.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.02 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -59.09 -48.33 82.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.306 179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -57.52 -48.39 79.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.669 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 3.0 tp-100 -58.71 -47.82 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 0.0 110.815 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 11.7 mm-40 -64.39 -23.76 67.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.034 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.427 HD23 ' CZ ' ' A' ' 18' ' ' PHE . 61.4 mt -78.57 -46.37 19.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.872 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -67.51 -27.15 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.884 179.135 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.428 HG21 ' O ' ' A' ' 73' ' ' GLU . 1.7 t -84.67 -27.92 26.76 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.985 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 5.4 mt -86.27 -32.19 21.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 110.094 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.71 -24.65 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.556 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.561 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.15 -48.02 97.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.844 -177.29 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 29.8 Cg_endo -64.76 -29.42 59.44 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 121.537 1.491 . . . . 0.0 111.546 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.443 ' CE1' ' HG2' ' A' ' 25' ' ' GLN . 1.3 t80 -68.48 -44.58 74.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.157 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 6.5 tt -65.57 -43.48 89.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.198 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.56 -31.46 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.945 0.403 . . . . 0.0 110.511 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.417 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 11.2 ttmm -67.0 -40.05 87.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.84 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.476 ' CG ' ' HE1' ' A' ' 37' ' ' MET . 1.1 t80 -75.87 -35.07 60.0 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -63.69 -44.64 93.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 2.1 t70 -68.92 -39.4 79.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.77 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' CE1' ' CB ' ' A' ' 30' ' ' ALA . 62.2 t80 -63.46 -44.86 93.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.987 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 34' ' ' GLU . 6.5 tp -74.43 -35.96 63.41 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -22.44 45.61 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.98 0.419 . . . . 0.0 111.223 -179.703 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.831 0.348 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 75.74 -64.94 0.34 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.97 95.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.57 140.92 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.73 -32.13 8.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.303 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.74 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.64 -41.92 78.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.75 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -35.1 77.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.684 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -44.56 82.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.291 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -68.38 -45.73 71.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 12' ' ' SER . 6.1 tt -63.71 -51.11 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.408 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.494 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 10.0 t -60.83 -40.77 94.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.72 0.295 . . . . 0.0 110.705 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.66 99.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.187 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.81 -37.38 84.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.349 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -68.99 -39.67 79.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.744 0.307 . . . . 0.0 110.638 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.46 -53.14 38.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.44 . . . . 0.0 110.445 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.36 -40.66 71.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.148 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.424 ' CD2' HD22 ' A' ' 74' ' ' LEU . 12.2 t80 -60.72 -49.02 79.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.65 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -56.0 -38.84 71.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.403 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.2 t -69.43 -33.75 58.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.34 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.443 HD23 ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -67.48 -47.48 69.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.542 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 12.4 mt -69.68 -36.79 76.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.261 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 4.0 p-10 -75.68 -33.56 60.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.501 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -60.75 11.83 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -178.563 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.488 ' H ' ' C ' ' A' ' 23' ' ' ASN . 2.3 mp0 -72.02 176.61 4.93 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 122.073 -0.392 . . . . 0.0 109.946 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 p -106.14 50.0 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 91.6 m-85 -63.42 92.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.181 0.515 . . . . 0.0 110.368 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -161.16 -52.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.083 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -126.05 102.22 7.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.765 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.42 108.6 4.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 122.329 1.061 . . . . 0.0 113.534 -175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' O ' ' CB ' ' A' ' 32' ' ' VAL . 6.9 mp -149.39 173.92 13.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 113.164 -1.834 . . . . 0.0 107.112 178.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.437 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER 84.25 155.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 118.702 0.683 . . . . 0.0 110.906 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.7 137.37 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.311 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . 25.6 tt0 -67.71 -47.14 70.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.781 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -29.31 60.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -52.72 50.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.0 tpp -61.04 -50.02 75.03 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.64 -44.52 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.959 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.8 p -61.17 -38.12 85.36 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.285 0.564 . . . . 0.0 110.295 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.465 ' CG1' ' CH2' ' A' ' 44' ' ' TRP . 0.9 OUTLIER -62.16 -42.02 93.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.436 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.45 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 88.7 t -61.37 -52.99 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.442 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.23 -41.08 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.851 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -45.53 88.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.465 ' CH2' ' CG1' ' A' ' 40' ' ' VAL . 40.2 m0 -62.87 -48.63 78.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -48.82 69.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.278 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -61.89 -42.31 98.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.08 -40.36 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.016 0.436 . . . . 0.0 110.161 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.46 -50.5 58.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.644 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.0 mm -56.82 -49.51 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.948 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.12 -44.69 87.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.229 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -67.21 -49.62 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.097 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.406 ' CD1' HD13 ' A' ' 10' ' ' LEU . 18.7 m-85 -59.49 -38.15 80.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -54.15 -40.14 67.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.092 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -83.14 -9.0 59.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.588 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -96.76 38.65 1.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.763 0.316 . . . . 0.0 111.066 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.58 119.5 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t -108.29 10.65 27.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.539 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.31 175.96 44.79 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.172 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -66.6 168.94 8.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.882 0.341 . . . . 0.0 110.82 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 9.5 Cg_endo -52.26 -27.91 32.22 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.592 2.194 . . . . 0.0 112.606 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 21.1 mt-30 -73.35 -47.48 41.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.141 0.496 . . . . 0.0 109.76 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -64.47 -38.43 90.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.316 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -69.1 -50.29 49.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.375 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.15 -45.09 96.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.899 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 1.1 mmmp? -59.26 -47.34 85.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.77 -30.26 67.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.49 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 mt -71.91 -40.32 68.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.781 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -70.97 -39.54 72.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.561 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 2.5 tt0 -68.55 -34.95 76.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.179 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -49.07 70.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.891 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -63.05 -45.99 89.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.38 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.11 -35.0 78.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.951 0.405 . . . . 0.0 110.488 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HA ' HG23 ' A' ' 76' ' ' THR . 6.5 mm-40 -66.91 -38.36 86.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.562 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 18' ' ' PHE . 25.2 mt -70.51 -36.14 73.59 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.57 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -66.21 -39.66 89.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.982 0.42 . . . . 0.0 110.137 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.416 HG23 ' HA ' ' A' ' 73' ' ' GLU . 6.7 t -73.28 -32.35 64.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.535 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.3 mt -84.56 -31.39 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.203 0.525 . . . . 0.0 110.323 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.6 -26.86 34.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.271 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.55 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -58.66 -50.76 86.28 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.363 -178.306 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 30.4 Cg_endo -64.08 -33.66 60.92 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 121.744 1.629 . . . . 0.0 111.853 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.472 ' CG ' ' HB3' ' A' ' 22' ' ' LEU . 2.0 t80 -69.82 -43.48 71.92 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.358 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.8 mt -76.94 -33.42 57.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.637 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.64 56.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.175 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 17.7 ptmt -66.51 -41.89 88.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.049 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -64.9 -45.82 84.33 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.599 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.49 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 5.4 mmm180 -58.88 -54.63 44.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.277 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.25 -37.96 82.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.173 0.511 . . . . 0.0 109.966 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -62.26 -51.36 68.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.922 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -74.51 -25.83 59.6 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.737 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 1.1 mtpm? -89.51 -11.42 42.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.542 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.9 p -82.08 -54.73 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.382 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.483 ' O ' ' CB ' ' A' ' 93' ' ' GLU . 15.6 m80 -60.29 119.4 7.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.124 0.488 . . . . 0.0 112.3 -178.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER 94.73 -10.22 0.11 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.539 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 178.45 106.94 0.15 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 120.517 0.199 . . . . 0.0 111.032 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.9 67.02 0.9 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.531 2.154 . . . . 0.0 112.337 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 t -91.3 98.82 11.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.628 ' CG ' ' HD3' ' A' ' 98' ' ' PRO . 8.7 p80 166.77 -35.44 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.225 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.628 ' HD3' ' CG ' ' A' ' 97' ' ' HIS . 19.5 Cg_endo -91.77 172.46 2.66 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.512 2.141 . . . . 0.0 112.268 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.481 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.6 Cg_endo -41.48 -57.48 1.42 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.088 2.525 . . . . 0.0 112.931 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 99' ' ' PRO . 11.7 Cg_endo -55.34 86.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.49 2.126 . . . . 0.0 112.414 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.8 -78.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.943 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.836 0.35 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.3 25.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.459 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pp -39.24 97.11 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mp -88.36 146.79 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.434 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -48.62 -35.68 14.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.752 0.311 . . . . 0.0 111.287 -179.428 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' N ' ' HG2' ' A' ' 5' ' ' LYS . . . -51.6 -39.27 57.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.104 0.478 . . . . 0.0 110.801 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -71.12 -45.67 63.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -60.77 -37.15 80.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.534 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.6 -45.99 81.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.973 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -46.2 90.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.726 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.5 mt -62.87 -51.13 75.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.731 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.81 -41.14 90.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.64 0.257 . . . . 0.0 111.147 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.25 -45.5 87.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.466 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.68 -39.22 93.67 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.517 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -39.83 78.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.541 0.21 . . . . 0.0 110.948 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -61.34 -53.25 59.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.87 -38.57 82.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.379 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.447 ' CE1' HD12 ' A' ' 74' ' ' LEU . 6.4 t80 -62.14 -46.79 87.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.18 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.8 p -61.68 -41.32 97.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.171 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.95 -32.96 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.208 0.528 . . . . 0.0 109.831 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 44' ' ' TRP . 13.1 tp -66.49 -45.41 79.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.23 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD2' ' CD2' ' A' ' 81' ' ' PHE . 10.1 mt -71.55 -45.84 61.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.74 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -61.03 -41.59 96.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.657 0.265 . . . . 0.0 111.694 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -74.02 4.24 5.75 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 7.3 mm100 -66.29 176.6 1.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.53 117.5 46.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 0.0 111.785 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 45.9 m-85 -139.52 85.82 2.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -153.06 -57.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.11 0.481 . . . . 0.0 109.95 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.24 99.8 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.06 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.11 102.93 3.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.62 0.724 . . . . 0.0 112.215 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.27 -51.68 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.64 159.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.259 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 m -74.05 163.05 28.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' HB3' ' CD2' ' A' ' 89' ' ' LEU . 3.9 pt-20 -74.5 -40.29 61.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.14 -33.75 71.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.31 -56.16 18.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.494 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -58.27 -48.1 81.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.541 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.28 -44.67 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.0 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.1 m -63.26 -33.58 75.81 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.168 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.416 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 24.9 t -67.01 -46.69 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.939 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.416 HG23 ' CE2' ' A' ' 81' ' ' PHE . 47.4 t -59.46 -54.93 27.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.997 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -38.97 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 0.0 110.674 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -58.98 -43.99 91.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.791 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.416 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 37.6 m0 -67.01 -49.02 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.732 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -48.99 72.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.403 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -41.88 94.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.703 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.44 -33.36 75.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.273 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.51 -51.67 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.0 mm -58.1 -51.4 71.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.774 0.321 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -39.91 83.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.335 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -69.95 -49.52 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.222 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.21 -32.58 73.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -58.91 -42.86 90.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.727 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -75.41 -22.72 57.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -89.95 43.45 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.794 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 63' ' ' ARG . 23.6 t -114.81 139.14 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.796 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 t -127.24 -7.97 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.68 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.77 176.91 44.72 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.71 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 1.3 pm0 -69.11 166.59 27.19 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-O 120.638 0.256 . . . . 0.0 111.368 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 2.7 Cg_endo -44.96 -32.95 6.96 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.057 2.505 . . . . 0.0 112.591 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -73.17 -41.67 63.63 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.0 -39.22 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.792 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HA ' HG12 ' A' ' 56' ' ' VAL . 25.7 ttm180 -66.75 -52.0 49.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.261 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.81 -39.42 88.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -46.99 87.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -69.16 -32.6 72.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.19 -31.55 58.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -77.69 -39.97 43.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.657 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.81 -33.49 68.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -66.94 -50.23 63.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.948 178.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 68' ' ' GLN . 8.0 ptm180 -60.11 -44.69 94.66 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.962 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 50.7 tt0 -59.3 -50.36 74.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -58.8 -36.22 74.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -63.42 -45.8 89.27 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.68 -33.06 75.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 109.849 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 m -76.51 -33.1 58.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.475 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.418 HD11 ' CD2' ' A' ' 18' ' ' PHE . 45.3 mt -83.74 -33.19 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.193 0.52 . . . . 0.0 110.366 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.53 -25.17 36.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.335 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.522 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -58.65 -50.92 85.4 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.265 -178.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 40.9 Cg_endo -68.3 -31.63 28.12 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 121.881 1.72 . . . . 0.0 112.166 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.461 ' CD2' ' CD2' ' A' ' 22' ' ' LEU . 3.0 t80 -73.1 -46.0 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.422 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -41.42 82.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.556 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.77 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 110.528 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -36.6 84.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.494 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 6.7 t80 -72.71 -44.95 61.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.132 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -44.05 84.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.19 0.519 . . . . 0.0 109.744 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.35 -36.76 83.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.533 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -63.38 -47.57 81.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.604 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 7.6 tp -73.98 -29.94 62.24 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.62 0.248 . . . . 0.0 111.591 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -17.5 44.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.706 0.289 . . . . 0.0 110.959 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 t -69.09 -53.85 18.09 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.81 111.32 1.41 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.995 0.902 . . . . 0.0 112.657 -176.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -47.36 -43.95 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 113.754 -1.566 . . . . 0.0 113.833 -178.293 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.36 73.22 0.3 Allowed Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 93' ' ' GLU . 76.4 Cg_endo -83.48 -39.45 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.445 2.097 . . . . 0.0 111.982 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 p -84.45 6.66 22.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.115 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.406 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 17.1 m80 60.99 53.51 2.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.737 0.304 . . . . 0.0 111.088 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.499 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 2.1 Cg_endo -42.69 -56.33 2.2 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.208 2.606 . . . . 0.0 112.978 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 98' ' ' PRO . 14.1 Cg_endo -57.09 121.7 10.53 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.487 2.125 . . . . 0.0 112.546 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.32 -165.96 0.38 Allowed 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -158.57 165.05 35.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.91 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.9 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.901 0.382 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.46 82.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.057 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.81 119.44 1.91 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.732 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -121.67 130.78 53.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.047 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.81 -25.71 2.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.37 90.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.009 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -77.05 -46.72 22.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.443 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -35.08 79.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.019 0.438 . . . . 0.0 110.325 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.08 -44.94 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.961 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -42.57 98.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.594 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.1 mt -70.24 -51.88 34.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.713 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -65.67 -40.26 92.2 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 122.295 -0.253 . . . . 0.0 111.225 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.5 95.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.292 0.568 . . . . 0.0 109.611 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.19 -37.59 72.04 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.264 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -39.76 74.81 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.675 0.274 . . . . 0.0 110.442 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -53.25 59.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.4 -36.5 80.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.03 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.465 ' CE2' ' CD1' ' A' ' 22' ' ' LEU . 25.1 t80 -69.67 -34.55 74.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.348 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 1.2 m -74.19 -44.67 52.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.622 0.248 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.66 -33.45 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.324 0.583 . . . . 0.0 109.581 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.439 HD13 ' CZ3' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -71.44 -44.76 64.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.036 179.223 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD1' ' CE2' ' A' ' 18' ' ' PHE . 12.5 mt -70.71 -36.26 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' SER . 4.7 m-80 -77.58 -10.22 59.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.257 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 45.17 0.99 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.962 0.411 . . . . 0.0 111.94 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' CB ' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -119.52 131.2 55.51 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.024 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.51 ' HB ' ' OD1' ' A' ' 29' ' ' ASP . 27.1 m -72.6 52.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -178.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CE2' ' CB ' ' A' ' 25' ' ' GLN . 69.0 m-85 -61.93 86.08 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.528 0.68 . . . . 0.0 110.549 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' VAL . 2.0 t30 178.63 -20.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.209 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.51 ' OD1' ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -98.62 97.91 9.13 Favored 'General case' 0 CA--C 1.527 0.074 0 CA-C-O 121.439 0.638 . . . . 0.0 112.255 -179.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.488 ' CB ' ' CG ' ' A' ' 92' ' ' HIS . . . -70.42 86.87 0.62 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.163 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -173.86 148.23 1.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 113.129 -1.85 . . . . 0.0 108.872 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER 100.33 170.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 122.966 0.507 . . . . 0.0 111.228 -179.588 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.68 140.47 29.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.276 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.62 -40.56 61.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.255 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -53.94 -36.38 62.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.224 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -56.16 25.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.471 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -43.79 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.4 t -56.27 -45.45 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.232 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -35.75 81.64 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.371 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.48 ' CG1' ' CH2' ' A' ' 44' ' ' TRP . 24.4 t -58.94 -48.01 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.219 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.12 -42.51 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.999 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.74 -42.9 97.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.62 -47.29 81.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.671 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.48 ' CH2' ' CG1' ' A' ' 40' ' ' VAL . 25.7 m0 -58.9 -48.94 79.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 34.2 ttm -56.88 -48.79 77.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.505 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -64.78 -41.56 95.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.928 0.394 . . . . 0.0 110.393 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.481 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -72.66 -47.83 44.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 50' ' ' ASN . 4.4 tp -58.6 -49.21 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.961 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.471 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 2.3 t30 -63.15 -46.22 88.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.386 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -67.5 -28.51 67.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.247 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.16 -38.93 21.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.577 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -56.94 -35.49 69.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.642 0.258 . . . . 0.0 110.845 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.469 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -80.43 -32.73 37.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.939 0.4 . . . . 0.0 110.502 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -72.42 48.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.586 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.2 t -147.87 89.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.24 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.1 p -93.17 25.41 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.544 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.68 -174.52 32.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.188 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.17 167.53 0.89 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.655 0.264 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.12 -30.15 55.85 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.481 2.121 . . . . 0.0 112.456 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -71.62 -47.51 54.11 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -40.29 85.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.943 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' A' ' 64' ' ' ASP . 6.8 ptp180 -74.44 -52.16 12.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.673 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -57.79 -42.21 83.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.42 -40.52 73.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.981 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.93 88.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.024 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.89 -39.02 83.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -66.2 -50.34 64.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -62.5 -33.41 74.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.238 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.8 -51.92 50.04 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -57.27 -42.54 81.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -61.99 -50.41 72.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.397 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -51.14 67.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.336 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.51 -48.09 77.94 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.94 -28.45 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.784 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.451 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 7.4 m -72.95 -54.37 8.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.442 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 8.6 mt -57.62 -46.38 84.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.97 -22.88 65.0 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.457 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.03 -55.55 44.02 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 35.2 Cg_endo -64.44 -19.49 65.34 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 121.873 1.716 . . . . 0.0 112.053 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.445 ' CD2' HD21 ' A' ' 22' ' ' LEU . 1.2 t80 -73.87 -44.9 53.97 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.244 0.545 . . . . 0.0 111.562 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.11 -32.25 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.82 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.27 51.23 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.014 0.435 . . . . 0.0 110.179 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 0.4 OUTLIER -67.05 -40.45 87.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.235 179.581 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -43.13 71.95 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.907 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -57.59 -46.34 84.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.205 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -39.33 94.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.874 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -62.34 -48.66 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.607 179.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -34.57 63.24 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -77.33 -23.25 50.97 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.675 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t -90.8 -48.68 6.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 0.0 111.064 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.488 ' CG ' ' CB ' ' A' ' 30' ' ' ALA . 4.2 m170 -61.05 129.51 41.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.422 0.63 . . . . 0.0 112.48 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -102.48 141.39 35.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.053 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 30' ' ' ALA . 93.9 mt -153.17 85.84 4.17 Favored Pre-proline 0 CA--C 1.529 0.169 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -82.96 157.55 15.49 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.646 2.231 . . . . 0.0 110.612 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.5 p -76.22 153.28 36.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.949 0.404 . . . . 0.0 111.504 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.407 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 0.1 OUTLIER 172.46 102.99 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.447 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 97' ' ' HIS . 0.9 OUTLIER -44.03 101.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.864 2.376 . . . . 0.0 112.662 -179.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.539 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 27.4 Cg_endo -69.17 -30.61 24.71 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.376 2.051 . . . . 0.0 114.235 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 99' ' ' PRO . 80.1 Cg_endo -84.11 24.85 0.72 Allowed 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.959 1.773 . . . . 0.0 113.174 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.64 131.56 44.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.873 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.78 0.324 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 3' ' ' LEU . . . -119.62 145.7 46.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 2.7 pp 156.65 -8.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.956 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER 72.58 71.35 0.14 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.857 0.36 . . . . 0.0 110.69 -179.562 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.37 -25.83 2.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.55 -32.4 18.41 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.781 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 25.7 p30 -75.93 -30.97 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 110.035 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 6.6 tttt -77.49 -31.8 53.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.366 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.12 -36.92 64.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.709 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -69.96 -44.64 69.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 179.347 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 12' ' ' SER . 5.0 tt -62.7 -50.16 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.639 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.484 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 1.2 m -66.67 -38.16 86.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.548 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.64 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 110.545 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.02 -36.62 60.65 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.334 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.13 -39.19 75.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.626 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -65.64 -53.12 45.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.994 0.426 . . . . 0.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.9 -38.39 78.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.437 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.4 t80 -68.79 -40.99 79.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.212 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -38.73 90.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 3.5 t -72.32 -41.16 65.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.232 0.539 . . . . 0.0 109.953 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.422 HD23 ' CE3' ' A' ' 44' ' ' TRP . 11.4 tp -55.96 -48.32 76.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.651 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.511 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 59.7 mt -71.55 -35.64 70.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.407 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -82.66 0.23 44.13 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -93.15 28.53 2.13 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.365 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.579 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 14.9 mm100 -93.19 176.67 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.21 50.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 37.0 m-85 -62.5 105.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.45 0.643 . . . . 0.0 110.404 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t30 179.64 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.702 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.608 ' O ' HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -126.24 92.96 3.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.925 178.813 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' CB ' ' CD1' ' A' ' 88' ' ' PHE . . . -72.61 108.54 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -176.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.608 HD11 ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -124.31 -50.64 1.77 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.012 179.072 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.503 ' N ' ' CD2' ' A' ' 31' ' ' LEU . 14.9 p -67.31 149.02 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.96 0.41 . . . . 0.0 111.521 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.18 150.26 39.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.438 ' N ' ' CD1' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -74.68 -34.74 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.02 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -59.41 -38.92 81.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.562 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -60.01 -55.61 31.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.233 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.477 ' CG ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.96 -44.19 86.89 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.6 t -56.52 -44.88 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.109 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m -68.28 -31.82 71.53 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.508 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.442 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 37.7 t -63.87 -51.74 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 42.4 t -62.56 -41.49 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.748 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -41.89 96.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -42.99 98.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.151 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 43.5 m0 -67.35 -49.06 65.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.194 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -37.39 76.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.21 -43.61 70.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.534 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.0 -34.35 78.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.058 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -50.76 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.62 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.71 -48.3 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -62.94 -32.89 74.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.397 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -81.4 -31.88 33.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.614 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.443 ' CE1' ' CD2' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -75.23 -39.75 59.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.339 -179.539 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -32.32 11.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.216 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -8.0 56.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.936 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -96.61 12.34 32.04 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.556 0.217 . . . . 0.0 111.47 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 57' ' ' THR . 35.0 t -94.96 -83.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 1.9 m 90.64 7.62 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.718 0.407 . . . . 0.0 111.599 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.02 -177.94 42.02 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.37 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.455 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -64.71 169.35 5.34 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 117.367 0.584 . . . . 0.0 110.615 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 9.8 Cg_endo -51.83 -27.84 28.73 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.477 2.118 . . . . 0.0 112.308 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 24.5 pt20 -73.07 -42.79 62.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -45.44 91.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.323 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -68.53 -49.72 57.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.8 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.92 -52.04 65.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.453 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -56.88 -47.43 80.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.436 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HA ' ' HG2' ' A' ' 69' ' ' GLU . . . -64.72 -51.32 63.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.444 0.64 . . . . 0.0 109.693 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 mt -54.55 -33.81 60.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.71 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -72.47 -50.35 26.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG2' ' HA ' ' A' ' 66' ' ' ALA . 22.0 pt-20 -64.74 -29.87 70.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.259 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -50.27 59.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.243 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -62.54 -44.24 96.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.767 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.15 -42.55 99.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.708 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' HA ' HG23 ' A' ' 76' ' ' THR . 26.6 mt-10 -62.9 -42.24 99.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.044 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.7 -38.09 89.81 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.828 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -64.94 -49.44 70.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.975 0.417 . . . . 0.0 110.221 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.444 HG23 ' HA ' ' A' ' 73' ' ' GLU . 5.2 t -60.4 -34.61 74.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.514 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.68 -43.34 22.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.529 0.68 . . . . 0.0 109.694 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.9 -27.01 65.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.334 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.465 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -58.43 -56.85 31.11 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.738 -177.567 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 19.6 Cg_endo -59.18 -31.75 95.88 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 121.701 1.6 . . . . 0.0 111.932 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.511 ' CD2' ' HB3' ' A' ' 22' ' ' LEU . 1.1 t80 -74.17 -50.66 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.425 0.631 . . . . 0.0 110.907 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.468 HD22 ' HG3' ' A' ' 86' ' ' ARG . 7.3 tt -68.7 -40.49 80.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.241 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.14 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -69.82 -39.98 76.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.664 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CE2' ' CG ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -68.8 -39.41 80.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.917 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HG3' HD22 ' A' ' 82' ' ' LEU . 4.5 mmm180 -64.0 -53.05 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -33.54 64.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.25 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.451 ' CD1' ' CB ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -63.98 -51.82 62.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 34' ' ' GLU . 5.6 mt -74.43 -27.84 60.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.107 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -13.29 43.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.7 0.286 . . . . 0.0 111.549 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.0 t -111.37 -52.82 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 111.205 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -69.51 112.6 6.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.178 0.513 . . . . 0.0 112.326 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.31 156.99 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.077 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -122.09 43.22 0.67 Allowed Pre-proline 0 CA--C 1.532 0.287 0 O-C-N 122.11 -0.369 . . . . 0.0 111.955 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 94' ' ' LEU . 88.0 Cg_endo -78.63 -16.03 13.39 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.297 1.998 . . . . 0.0 112.398 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.9 73.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -129.68 163.24 48.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.18 119.06 5.92 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.614 2.209 . . . . 0.0 112.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.34 161.85 41.74 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.446 2.097 . . . . 0.0 112.271 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.32 143.77 39.91 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.509 2.139 . . . . 0.0 112.338 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 p -170.15 87.58 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.2 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.95 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.756 0.312 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -91.92 -4.28 54.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.594 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -29.91 88.34 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.937 0.495 . . . . 0.0 112.257 -179.468 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 2' ' ' ALA . 0.7 OUTLIER 45.37 104.56 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.0 0.429 . . . . 0.0 111.768 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -48.92 -27.34 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.431 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.62 -42.64 71.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.629 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -68.8 -32.32 71.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.373 . . . . 0.0 110.58 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -35.58 60.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.526 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -64.9 -47.87 76.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.384 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -43.83 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.401 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -61.21 -51.15 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.211 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -59.82 -42.62 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.61 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.92 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.324 . . . . 0.0 110.699 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.71 -35.15 85.12 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.517 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 2.1 mp -71.27 -39.75 71.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.645 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -61.88 -53.17 59.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.35 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -59.72 -40.64 88.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.555 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CE2' HD21 ' A' ' 74' ' ' LEU . 21.2 t80 -61.91 -48.99 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 p -59.12 -41.06 87.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.603 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.443 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 2.8 t -69.34 -37.86 76.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.241 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD1' ' CH2' ' A' ' 44' ' ' TRP . 1.4 tp -59.69 -47.26 86.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.111 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD21 ' CE2' ' A' ' 81' ' ' PHE . 14.9 mt -68.33 -36.18 78.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.765 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.564 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 22.2 p30 -80.25 -33.0 38.26 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.564 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 12.8 pt20 -61.51 14.21 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.531 ' H ' ' C ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -79.64 176.65 9.51 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.6 p -101.99 50.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 45.1 m-85 -62.82 90.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.475 0.655 . . . . 0.0 110.688 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -156.96 -57.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.611 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.39 101.76 6.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.384 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.466 ' CB ' ' CE1' ' A' ' 92' ' ' HIS . . . -72.87 76.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.203 0.525 . . . . 0.0 111.55 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -113.3 50.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.214 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -144.45 -86.48 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 p 176.9 137.04 0.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.741 0.305 . . . . 0.0 110.687 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -74.27 -45.88 44.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.428 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -53.87 -41.84 67.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.15 -55.74 31.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.464 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.46 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -57.93 -43.44 86.28 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.1 t -56.81 -44.68 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.052 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -38.05 89.66 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.105 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 HG13 ' CE2' ' A' ' 44' ' ' TRP . 8.2 t -61.91 -39.87 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.826 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.433 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 53.4 t -65.3 -50.04 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.73 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -42.77 95.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.709 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -38.77 92.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.449 ' CH2' ' CD1' ' A' ' 21' ' ' LEU . 22.0 m0 -68.64 -48.5 63.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.81 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 29.7 ttm -58.51 -45.22 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.352 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -67.8 -43.44 79.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.002 0.429 . . . . 0.0 110.483 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -64.44 -33.1 75.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.541 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -71.05 -45.56 63.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 49' ' ' ILE . 34.3 mm -60.54 -52.46 61.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.723 0.297 . . . . 0.0 110.785 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.99 -40.63 94.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -67.18 -49.19 65.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.425 ' HA ' ' CG ' ' A' ' 55' ' ' GLN . 12.5 m-85 -59.55 -30.88 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' O ' HG21 ' A' ' 56' ' ' VAL . 10.5 ttp-105 -62.33 -39.64 93.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -6.78 43.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.793 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' CG ' ' HA ' ' A' ' 52' ' ' TYR . 11.9 pt20 -115.9 24.63 11.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.669 0.271 . . . . 0.0 111.495 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.663 HG13 ' HG3' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -114.16 125.85 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.078 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.55 ' N ' HH11 ' A' ' 63' ' ' ARG . 2.0 m -167.55 125.92 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 154.87 -6.92 0.3 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 119.741 -1.218 . . . . 0.0 113.827 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER 157.11 121.18 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 123.098 0.559 . . . . 0.0 109.847 178.148 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 59' ' ' GLU . 5.7 Cg_endo -46.88 -51.09 9.75 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.526 2.151 . . . . 0.0 111.842 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 26.0 tt0 -62.26 -37.08 84.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 59' ' ' GLU . 3.1 tt0 -71.89 -32.75 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.34 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.663 ' HG3' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -74.56 -55.6 5.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.261 0.553 . . . . 0.0 110.54 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.88 -33.45 73.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.522 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -68.85 -47.15 66.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.32 73.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.169 0.509 . . . . 0.0 110.311 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD23 ' CG2' ' A' ' 56' ' ' VAL . 1.8 mm? -72.94 -43.91 61.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.707 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 9.0 pt20 -63.78 -42.5 97.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 110.153 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 3.5 mm-40 -62.76 -41.83 99.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.849 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -50.99 68.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.323 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -58.13 -49.14 78.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.764 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 -50.45 73.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -45.13 75.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.729 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.461 HD21 ' CE2' ' A' ' 18' ' ' PHE . 57.4 mt -59.26 -44.35 92.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.232 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -64.53 -31.65 72.95 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.173 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.0 p -79.97 -28.86 39.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.382 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.1 mt -85.91 -33.57 21.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.12 0.486 . . . . 0.0 110.419 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.51 -24.21 36.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.281 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.525 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.81 -50.78 86.16 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.398 -178.359 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 42.5 Cg_endo -68.5 -31.9 26.25 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 121.837 1.691 . . . . 0.0 112.235 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.463 ' CE2' HD21 ' A' ' 22' ' ' LEU . 2.2 t80 -71.1 -44.71 65.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.518 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -40.6 70.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.49 -35.44 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 110.2 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -65.9 -42.04 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.547 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.46 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 2.3 t80 -68.17 -43.89 77.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.73 0.3 . . . . 0.0 111.19 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -54.47 46.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.904 0.383 . . . . 0.0 110.663 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -38.71 89.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.095 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.31 -40.37 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.208 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -74.01 -31.13 62.79 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.382 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -85.72 -22.91 27.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 111.658 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.8 t -71.37 -59.45 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 111.728 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.542 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 20.4 p-80 -59.85 113.49 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.526 0.679 . . . . 0.0 112.248 -177.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' A' ' 92' ' ' HIS . 0.7 OUTLIER 82.45 167.68 0.12 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.824 -179.539 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 93' ' ' GLU . 0.8 OUTLIER 6.61 67.99 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -93.37 -115.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.073 2.515 . . . . 0.0 111.646 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.6 p -127.85 -26.85 2.87 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.039 -0.413 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.463 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 0.0 OUTLIER -45.23 -61.55 2.25 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.521 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 97' ' ' HIS . 6.8 Cg_endo -49.68 159.59 1.43 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.61 2.207 . . . . 0.0 112.063 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.76 110.4 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.609 2.206 . . . . 0.0 112.511 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -84.61 118.95 2.22 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.612 2.208 . . . . 0.0 112.264 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -88.85 7.59 33.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.343 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.882 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.0 p . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.811 0.338 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.51 -161.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.14 118.04 9.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.776 0.322 . . . . 0.0 110.532 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.92 136.28 40.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -29.62 4.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.16 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -41.4 85.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 0.0 110.584 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -76.73 -43.9 35.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.449 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.58 83.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.44 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.81 -48.44 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.968 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -41.84 93.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -68.0 -51.45 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.51 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.477 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 59.0 p -67.99 -39.27 83.28 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.456 -0.153 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -62.71 -35.83 81.0 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.62 -32.38 61.78 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.375 -0.916 . . . . 0.0 110.873 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -74.52 -40.24 61.87 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.493 0.187 . . . . 0.0 111.053 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -68.48 -44.73 74.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.682 0.277 . . . . 0.0 110.642 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -67.44 -38.79 85.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.022 0.439 . . . . 0.0 110.194 179.382 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.453 ' CZ ' HD21 ' A' ' 74' ' ' LEU . 23.4 t80 -73.84 -32.71 63.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 22.7 t -68.97 -44.05 73.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.596 0.236 . . . . 0.0 110.801 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 t -68.91 -38.37 78.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.435 HD12 ' CZ2' ' A' ' 44' ' ' TRP . 13.9 tp -56.56 -45.87 81.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.447 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 81' ' ' PHE . 11.5 mt -78.73 -48.85 14.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 19' ' ' SER . 11.7 m-80 -58.51 -17.73 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -85.38 57.84 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 111.395 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.759 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 10.9 mm100 -119.96 176.92 5.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.05 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG23 HD12 ' A' ' 31' ' ' LEU . 8.5 p -111.64 50.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.324 -0.55 . . . . 0.0 112.413 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.759 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 26.4 m-85 -62.75 141.35 58.63 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER 87.31 15.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -176.692 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.467 ' HB2' HG21 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -126.29 159.63 32.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.934 -179.454 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.71 73.32 0.84 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.333 -1.303 . . . . 0.0 113.395 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.496 HD12 HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -162.71 134.24 5.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.462 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER 95.4 139.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.139 0.576 . . . . 0.0 111.135 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -74.1 150.33 40.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.172 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' ' 89' ' ' LEU . 1.1 pp20? -74.48 -47.0 35.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.34 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.19 -42.36 73.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.999 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -54.36 47.85 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.969 0.414 . . . . 0.0 110.335 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.422 ' CE ' ' NE2' ' A' ' 25' ' ' GLN . 38.8 tpp -58.05 -44.42 87.43 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.487 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.9 t -56.41 -45.92 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.776 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -64.63 -35.82 82.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.152 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.471 ' HA ' ' OD2' ' A' ' 43' ' ' ASP . 48.0 t -58.1 -40.7 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-O 121.13 0.491 . . . . 0.0 110.453 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.453 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 34.5 t -68.52 -46.31 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.228 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -45.53 86.98 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.973 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.471 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 4.3 p30 -67.07 -35.05 78.98 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.046 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.465 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 7.3 m0 -62.21 -49.44 75.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.076 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.428 ' CG ' ' O ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -59.81 -49.16 78.79 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.618 -179.182 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -43.62 98.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.939 0.399 . . . . 0.0 110.49 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.21 -40.26 89.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -70.02 -47.75 60.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.405 ' CD1' ' O ' ' A' ' 45' ' ' MET . 1.6 mp -57.76 -56.03 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.801 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -49.01 76.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.487 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -61.65 -49.68 75.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.363 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.443 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -65.22 -30.89 71.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.804 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.46 -41.99 77.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.647 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -90.95 -24.08 20.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.448 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -77.89 -19.35 54.92 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.56 ' O ' ' CB ' ' A' ' 57' ' ' THR . 94.1 t -54.18 -99.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.264 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.56 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 6.6 m 100.51 170.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.209 0.604 . . . . 0.0 109.705 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.05 -172.83 37.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.096 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.04 164.49 3.36 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 52.7 Cg_endo -68.93 -25.17 32.81 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.523 2.149 . . . . 0.0 112.478 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 46.4 tt0 -73.1 -48.36 36.43 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.05 -42.55 90.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.112 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 60' ' ' PRO . 9.9 ptp180 -70.77 -50.83 31.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -57.71 -35.3 70.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -73.33 -38.13 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.43 -39.74 70.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.166 0.508 . . . . 0.0 110.37 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 mp -65.89 -40.7 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.867 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -69.88 -41.86 74.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 2.2 mt-10 -68.51 -26.17 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.694 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 11.2 mt -75.31 -51.28 13.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -57.36 -39.55 76.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.346 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 10.6 pt20 -70.95 -49.66 43.16 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.694 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.74 -50.07 74.46 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.307 179.703 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' CZ ' ' A' ' 18' ' ' PHE . 16.6 mt -57.14 -45.08 83.87 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.969 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.66 -29.73 70.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.541 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.27 -29.76 38.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.415 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -79.01 -45.99 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.26 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . . . -68.29 -21.33 64.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.505 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.468 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -58.64 -57.61 25.39 Favored Pre-proline 0 C--N 1.331 -0.236 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.321 -178.235 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 19.7 Cg_endo -60.16 -31.71 93.56 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.132 1.888 . . . . 0.0 112.564 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 25' ' ' GLN . 1.1 t80 -73.69 -46.93 43.35 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.453 0.644 . . . . 0.0 111.335 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 0.2 OUTLIER -77.0 -32.45 57.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.746 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.1 -30.31 58.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.249 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.46 ' HG2' ' CD1' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -72.34 -46.79 53.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.614 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -35.45 75.03 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.33 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.53 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -62.2 -41.66 98.56 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.007 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -40.12 95.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.407 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CZ ' ' O ' ' A' ' 29' ' ' ASP . 1.3 t80 -65.8 -50.06 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.372 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.5 ' O ' ' CE1' ' A' ' 92' ' ' HIS . 70.1 mt -63.58 -39.62 94.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -85.05 -29.13 25.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.991 0.424 . . . . 0.0 110.987 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.12 -25.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' A' ' 89' ' ' LEU . 1.7 p-80 -86.09 116.24 24.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.582 1.083 . . . . 0.0 111.851 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.77 112.4 0.42 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.589 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' A' ' 94' ' ' LEU . 1.2 pp -136.16 82.59 35.33 Favored Pre-proline 0 N--CA 1.463 0.192 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.041 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -90.31 -1.77 5.37 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.995 2.463 . . . . 0.0 113.496 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -147.15 122.85 10.53 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.368 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.578 ' N ' ' HD3' ' A' ' 98' ' ' PRO . 2.3 m170 -173.06 54.98 0.19 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.035 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 97' ' ' HIS . 23.0 Cg_exo -65.82 -48.03 3.3 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.742 2.295 . . . . 0.0 114.954 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.553 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 17.8 Cg_endo -67.73 -37.16 16.83 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.316 2.01 . . . . 0.0 114.982 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 99' ' ' PRO . 62.5 Cg_endo -72.05 15.52 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 121.965 1.777 . . . . 0.0 113.46 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.15 74.36 0.98 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.835 0.35 . . . . 0.0 110.789 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.08 109.67 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.814 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -124.01 -62.42 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.814 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 9.5 mt 98.36 92.64 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.14 0.976 . . . . 0.0 110.43 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -25.3 1.35 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.988 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.54 -43.26 89.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.142 0.496 . . . . 0.0 110.362 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -71.32 -46.59 60.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.528 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -37.68 80.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.471 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.7 -46.29 79.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.894 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -45.39 93.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.943 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.3 mt -63.85 -51.91 63.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.441 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -62.93 -38.54 91.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.643 0.259 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -61.2 -45.25 95.37 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.1 -29.8 75.66 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.428 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -70.7 -40.22 73.0 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.638 0.256 . . . . 0.0 110.834 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -71.12 -44.78 64.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.184 -179.294 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.65 -46.59 89.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.272 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 4.8 t80 -59.43 -49.19 78.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.827 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -55.27 -41.19 71.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.518 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 16' ' ' LYS . 4.0 t -64.08 -41.31 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.239 0.542 . . . . 0.0 110.066 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD1' ' CZ3' ' A' ' 44' ' ' TRP . 6.9 tp -66.42 -46.76 75.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.446 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 18' ' ' PHE . 68.3 mt -65.05 -41.58 95.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.617 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -76.78 -28.35 55.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.439 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -62.25 -3.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 11.0 mm-40 -80.93 149.75 29.27 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.6 t -79.51 127.58 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.835 0.35 . . . . 0.0 111.576 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 25' ' ' GLN . 61.0 m-85 -130.79 85.62 2.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -136.13 -65.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.021 0.439 . . . . 0.0 110.807 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 9.3 p-10 -126.09 126.35 44.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.694 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.47 89.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.397 0.618 . . . . 0.0 112.359 -177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' CD2' ' O ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -103.7 -51.35 3.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.008 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.435 ' H ' ' HG ' ' A' ' 31' ' ' LEU . 12.5 p -71.36 159.78 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.493 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 t -66.67 154.3 40.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 30.8 tt0 -74.62 -47.1 34.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.361 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -33.52 58.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.229 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -56.18 22.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.704 0.288 . . . . 0.0 110.537 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.474 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -60.27 -44.31 95.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.9 -44.53 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.93 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -35.23 80.52 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.024 0.44 . . . . 0.0 110.106 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.461 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 38.4 t -61.63 -45.74 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.896 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.488 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 47.5 t -64.66 -42.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.672 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -43.03 86.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -48.67 80.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.472 ' CZ3' ' CD1' ' A' ' 21' ' ' LEU . 48.4 m0 -63.44 -48.46 77.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ttm -56.73 -48.85 76.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.421 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.08 -41.14 99.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.947 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -65.41 -34.25 77.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.814 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -71.59 -46.27 59.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.7 mm -60.8 -51.19 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -61.09 -41.93 97.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -67.11 -44.68 79.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.444 ' CE2' HD23 ' A' ' 70' ' ' LEU . 4.1 m-85 -62.44 -32.4 73.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' O ' HG21 ' A' ' 56' ' ' VAL . 2.9 mtm180 -54.69 -34.58 62.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.458 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -13.75 53.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -91.06 24.01 3.0 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.755 0.312 . . . . 0.0 111.002 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.564 ' O ' ' CB ' ' A' ' 57' ' ' THR . 1.4 t -106.8 -173.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.564 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 7.6 t 122.28 99.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.46 1.104 . . . . 0.0 110.152 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 178.42 22.72 0.03 OUTLIER Glycine 0 CA--C 1.527 0.825 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.693 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' GLY . 1.0 OUTLIER 105.09 147.32 0.01 OUTLIER Pre-proline 0 N--CA 1.467 0.377 0 C-N-CA 124.594 1.157 . . . . 0.0 110.68 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.91 -51.09 7.88 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.999 2.466 . . . . 0.0 112.203 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.46 ' HG3' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -62.6 -30.08 71.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.126 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.503 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 9.1 tp10 -73.48 -50.49 21.29 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.525 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.558 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 13.7 ttp180 -65.03 -55.72 17.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.925 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -43.12 86.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.922 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 7.0 ttpt -68.26 -34.95 77.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.336 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.32 -41.09 57.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.205 0.526 . . . . 0.0 110.397 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -70.4 -39.23 74.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.813 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 5.1 pp0? -67.25 -47.09 71.79 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.265 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -61.59 -34.58 75.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.902 179.001 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' HA ' ' HG2' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -62.43 -51.83 65.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.48 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -57.42 -40.88 79.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.695 0.283 . . . . 0.0 110.581 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.41 -49.38 71.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.535 ' HG2' ' HA ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -60.76 -27.06 67.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.51 -179.555 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 HD21 ' HG3' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -78.39 -47.97 16.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.124 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.33 -35.38 77.23 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.447 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 7.8 t -69.97 -52.42 24.5 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.08 -41.25 96.29 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.639 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.95 -16.47 56.92 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 111.718 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.415 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -58.76 -57.1 29.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.234 -177.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.447 ' CD ' ' O ' ' A' ' 76' ' ' THR . 50.3 Cg_endo -68.8 -25.19 33.57 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.402 2.068 . . . . 0.0 113.374 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.488 ' CE2' ' CG2' ' A' ' 41' ' ' VAL . 1.6 t80 -74.01 -48.31 31.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 111.521 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.9 -41.3 95.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.826 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.27 -38.38 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.349 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 27' ' ' PHE . 7.6 tttp -62.1 -37.22 84.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.565 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 5.6 t80 -75.9 -38.05 58.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -47.34 81.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.896 0.379 . . . . 0.0 110.48 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.68 -35.85 75.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.897 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -66.95 -40.23 87.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.805 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.24 -38.42 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.93 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -7.01 54.73 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 t -63.17 -51.75 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -84.66 111.96 20.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.173 0.511 . . . . 0.0 112.268 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.51 -56.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.819 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.6 mt 56.03 74.67 0.67 Allowed Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.425 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.17 85.6 1.83 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.646 2.231 . . . . 0.0 112.208 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.8 t -46.44 -79.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.473 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 79.5 t60 62.76 63.35 1.77 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.795 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.77 150.68 31.02 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.618 2.212 . . . . 0.0 112.383 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.98 110.59 2.35 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.725 2.283 . . . . 0.0 112.367 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.55 76.88 4.29 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.475 2.117 . . . . 0.0 112.426 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -129.18 130.62 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.828 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.747 0.308 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 76.81 63.34 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.69 -177.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.5 mt -126.7 -36.01 2.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.51 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HA ' ' HG2' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -47.93 -31.46 5.22 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 121.238 0.542 . . . . 0.0 110.143 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.48 -34.42 35.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.951 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.35 -47.17 36.03 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.416 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.495 ' HG2' ' HA ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -71.14 -30.98 67.15 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.023 0.44 . . . . 0.0 110.54 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.74 -44.68 76.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.366 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -42.5 99.64 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.429 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.402 ' N ' HD11 ' A' ' 11' ' ' ILE . 1.5 mp -69.45 -52.3 33.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.454 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -65.89 -38.98 90.16 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 122.112 -0.368 . . . . 0.0 111.073 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.57 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -63.92 -36.8 85.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.282 0.563 . . . . 0.0 109.576 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.24 -38.33 58.96 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.016 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -40.88 71.5 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -64.18 -45.04 90.12 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.13 -34.42 77.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CE1' HD21 ' A' ' 74' ' ' LEU . 15.9 t80 -62.98 -42.33 99.81 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.923 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.4 -42.0 75.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.693 0.282 . . . . 0.0 111.085 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.54 -32.19 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.386 0.612 . . . . 0.0 109.454 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' CD1' ' CH2' ' A' ' 44' ' ' TRP . 4.2 tp -70.72 -40.13 73.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.621 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD2' ' CD2' ' A' ' 81' ' ' PHE . 6.6 mt -68.32 -44.29 75.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.167 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -30.96 63.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.717 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -100.94 30.04 4.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.665 0.269 . . . . 0.0 111.384 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -61.18 176.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.84 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.428 HG13 ' HE3' ' A' ' 37' ' ' MET . 4.0 p -103.0 115.06 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.388 0.613 . . . . 0.0 110.974 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 41.3 m-85 -141.46 96.28 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.061 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.54 -63.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 119.466 1.03 . . . . 0.0 109.103 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -126.47 92.62 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.658 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . -72.2 165.08 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -177.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER 102.05 68.53 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.003 -179.071 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.441 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 1.5 p 153.96 -39.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.289 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 1.9 m -75.08 -4.07 36.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.556 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . 38.2 tt0 -63.65 -48.34 77.62 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.11 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.35 -44.88 57.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.193 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.95 -52.7 64.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.224 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.428 ' HE3' HG13 ' A' ' 26' ' ' VAL . 10.5 tpp -58.07 -45.52 86.94 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 t -55.68 -45.44 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.231 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 43' ' ' ASP . 54.7 m -67.55 -32.76 73.76 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.879 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.4 t -62.54 -51.35 73.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.885 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 65.9 t -59.33 -49.9 81.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 110.177 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 45' ' ' MET . 1.4 tt0 -58.05 -39.12 77.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.571 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -64.3 -50.13 69.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.046 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.45 ' CH2' ' CD1' ' A' ' 21' ' ' LEU . 41.0 m0 -60.38 -49.49 77.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.973 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 6.2 ptp -56.96 -42.55 80.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.417 ' N ' ' HG3' ' A' ' 45' ' ' MET . 0.5 OUTLIER -69.53 -41.83 75.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.477 179.636 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -64.1 -36.13 83.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.217 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.73 -51.67 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.4 mm -56.21 -45.07 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.361 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 1.9 t30 -66.5 -43.92 84.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.311 . . . . 0.0 111.584 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.49 -29.15 62.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.708 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.466 ' CD2' ' CD2' ' A' ' 70' ' ' LEU . 3.9 m-85 -84.29 -44.42 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.339 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 50' ' ' ASN . 4.3 ptm85 -51.54 -32.54 28.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -97.37 -25.57 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.663 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 52' ' ' TYR . 5.7 mm100 -71.05 -9.8 58.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.508 ' O ' ' OG1' ' A' ' 57' ' ' THR . 48.2 t -83.75 -74.59 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.604 0.24 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 56' ' ' VAL . 4.6 p 88.45 -118.48 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.522 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.503 ' N ' ' OG1' ' A' ' 57' ' ' THR . . . 39.15 -165.13 0.01 OUTLIER Glycine 0 C--N 1.34 0.801 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.316 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.05 167.33 9.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 122.798 -0.236 . . . . 0.0 110.474 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.38 -25.13 76.09 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.377 2.052 . . . . 0.0 112.491 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.4 -47.9 58.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.229 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.74 -39.44 84.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -55.0 6.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.01 -40.73 81.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -72.55 -43.13 63.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.247 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 53' ' ' ARG . 12.0 mt -70.66 -45.58 64.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.284 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -63.24 -34.46 77.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.782 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 1.8 tt0 -72.64 -38.33 67.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 6.4 tp -64.61 -51.72 61.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.675 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -57.25 -43.94 83.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.49 -50.35 69.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 110.372 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.43 -50.94 70.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.161 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' A' ' 18' ' ' PHE . 17.6 mt -56.4 -48.13 77.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.013 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.52 -27.7 67.82 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.087 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 17.0 m -74.06 -55.81 5.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.373 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.437 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 20.6 mt -57.97 -43.49 86.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.902 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.42 -27.17 68.34 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.436 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.1 m120 -57.88 -55.89 40.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.787 -176.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.437 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 38.5 Cg_endo -67.42 -24.24 43.07 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 121.91 1.74 . . . . 0.0 112.369 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.473 ' CD2' ' CD2' ' A' ' 22' ' ' LEU . 1.2 t80 -74.15 -44.98 51.58 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.051 0.453 . . . . 0.0 110.573 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -40.27 94.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.214 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.45 92.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.242 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -47.04 88.06 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 0.4 OUTLIER -70.53 -38.65 74.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.622 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 11.9 mmm180 -64.17 -30.8 71.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.32 -38.96 68.55 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.297 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 1.1 t80 -63.93 -42.41 97.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.172 0.51 . . . . 0.0 110.248 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -74.34 -35.27 63.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.406 179.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.601 ' C ' ' H ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -72.14 -31.52 66.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.235 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 p -51.82 9.24 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.601 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -60.41 174.36 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -30.61 88.95 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' HIS . 67.9 mt 28.28 101.58 0.02 OUTLIER Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.02 -34.72 8.02 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.425 2.083 . . . . 0.0 111.42 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m 54.0 -111.54 0.63 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.699 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.427 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 40.3 m-70 -78.52 -64.9 0.35 Allowed Pre-proline 0 CA--C 1.53 0.201 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' A' ' 97' ' ' HIS . 1.4 Cg_endo -45.02 99.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.852 2.368 . . . . 0.0 112.84 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.486 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -47.65 -55.47 3.94 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.622 2.215 . . . . 0.0 112.839 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 99' ' ' PRO . 23.7 Cg_endo -60.64 -85.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.295 1.997 . . . . 0.0 112.417 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.4 t -168.68 22.81 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.959 -179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.884 0.374 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.71 91.09 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.806 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.23 67.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 71.65 72.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.799 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.63 -23.47 1.03 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.615 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.61 -31.66 16.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 39.4 p-10 -69.4 -45.69 68.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.008 0.433 . . . . 0.0 110.145 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 2.6 tmmm? -65.3 -39.4 92.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.869 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -60.73 -39.78 89.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.95 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -45.14 88.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mt -64.17 -51.51 67.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 t -65.6 -37.75 87.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.7 95.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.017 0.436 . . . . 0.0 110.139 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.69 -37.38 61.6 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.333 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -39.74 78.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 110.254 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -65.78 -53.1 44.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.174 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -55.58 -38.68 69.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.946 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.92 -44.56 97.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.603 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.6 p -62.86 -38.73 91.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.437 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 4.0 t -68.82 -42.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.193 0.521 . . . . 0.0 109.889 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD1' ' CH2' ' A' ' 44' ' ' TRP . 2.7 tp -62.47 -43.19 99.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.88 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.555 ' CD2' ' CG ' ' A' ' 81' ' ' PHE . 1.2 tt -64.46 -34.96 79.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.831 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 19.9 p30 -82.81 -27.92 30.59 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.471 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.0 pt20 -65.49 2.88 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.505 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.1 mp0 -64.34 176.63 1.01 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.8 p -99.76 50.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 92.2 m-85 -66.02 85.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.422 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -169.7 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.045 0.45 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -126.0 99.13 5.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.985 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' LEU . . . -71.2 164.62 25.3 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 26.6 mt 123.12 -172.38 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 112.955 -1.93 . . . . 0.0 107.757 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER 87.07 16.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 118.523 0.601 . . . . 0.0 111.247 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p 63.24 135.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.61 -29.51 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.33 -36.29 79.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.438 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -53.74 48.34 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.481 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 45.0 tpp -60.25 -47.49 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.41 -44.99 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.763 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.0 m -64.1 -32.65 74.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.276 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.478 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 39.3 t -67.5 -46.2 83.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.703 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.481 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 17.0 t -59.43 -52.61 58.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.569 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.96 -41.2 95.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.646 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -49.48 74.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.674 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.478 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 40.2 m0 -59.4 -48.73 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.83 -49.01 66.58 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.425 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -64.48 -39.83 94.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.83 -36.27 83.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.356 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.419 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 3.6 m-85 -68.2 -50.49 53.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.803 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.35 -52.7 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.336 . . . . 0.0 110.795 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.07 -40.63 81.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.902 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -73.49 -49.74 25.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.848 0.356 . . . . 0.0 111.585 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.435 ' CD2' ' CD2' ' A' ' 70' ' ' LEU . 18.0 m-85 -57.42 -37.53 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.19 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -37.48 46.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.16 -5.72 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.097 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.39 23.44 10.2 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.67 0.272 . . . . 0.0 111.466 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' A' ' 57' ' ' THR . 24.3 t -97.35 -85.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.075 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 56' ' ' VAL . 2.8 p 89.01 -2.3 0.4 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.223 0.609 . . . . 0.0 111.432 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.13 -177.69 49.9 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 3.7 pm0 -71.3 165.17 50.95 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 117.84 0.82 . . . . 0.0 111.182 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 4.1 Cg_endo -46.1 -31.75 9.14 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.845 2.364 . . . . 0.0 112.574 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 26.4 tt0 -73.13 -46.77 49.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -43.73 98.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.838 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -65.69 -51.21 61.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.127 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.64 -50.61 68.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.344 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -53.22 -47.36 69.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.326 -179.364 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.25 60.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.238 0.542 . . . . 0.0 109.672 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.45 -34.89 59.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.971 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -50.23 41.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.704 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -28.39 69.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.163 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.435 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 1.5 tp -68.74 -49.45 58.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.407 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -60.84 -43.1 98.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.757 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -65.12 -44.22 89.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' HA ' HG23 ' A' ' 76' ' ' THR . 6.9 mm-40 -63.1 -39.53 94.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.54 -39.4 85.0 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.185 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 79' ' ' ASN . 22.0 m-80 -62.58 -50.28 71.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.207 0.527 . . . . 0.0 109.715 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' ' 73' ' ' GLU . 8.9 t -60.91 -38.18 84.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.631 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 mt -78.44 -33.89 48.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.298 0.571 . . . . 0.0 110.424 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.73 -28.88 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.394 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.58 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.37 -44.01 98.73 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.132 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 39.2 Cg_endo -66.7 -25.86 46.21 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 121.323 1.349 . . . . 0.0 111.277 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.555 ' CG ' ' CD2' ' A' ' 22' ' ' LEU . 1.2 t80 -70.27 -44.04 69.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.775 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -36.87 68.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . . . -76.46 -35.59 58.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.24 0.543 . . . . 0.0 110.131 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -66.14 -40.68 90.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.737 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.481 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 0.6 OUTLIER -74.94 -42.34 57.88 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.709 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.477 ' HG2' ' HA ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -60.51 -38.57 84.78 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.016 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 86' ' ' ARG . 1.9 t70 -71.39 -37.01 71.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -61.19 -50.32 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.462 179.304 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -70.04 -27.47 64.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.328 -179.742 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -7.68 54.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.732 0.301 . . . . 0.0 110.872 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.4 t -81.89 -55.4 4.63 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -59.92 112.21 1.77 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.762 0.792 . . . . 0.0 111.863 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.89 -173.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.371 -1.286 . . . . 0.0 113.35 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -47.92 101.92 0.29 Allowed Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 114.007 -1.451 . . . . 0.0 111.223 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -92.34 -167.41 0.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.058 2.506 . . . . 0.0 112.709 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.35 -166.17 2.0 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -98.06 138.96 20.98 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.34 136.67 7.81 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.652 2.235 . . . . 0.0 112.604 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.98 133.0 9.83 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.647 2.232 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.16 -55.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.286 1.991 . . . . 0.0 112.777 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -64.65 -63.23 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 111.136 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.884 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.677 0.275 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.53 26.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.467 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -61.39 -28.64 69.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.834 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.7 mt 98.71 117.08 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.455 0.702 . . . . 0.0 110.416 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -31.22 11.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.193 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.33 -38.4 52.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.825 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -46.26 45.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.282 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -29.84 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -43.48 62.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.076 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -43.57 84.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.856 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.4 -51.26 70.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -66.86 -38.59 86.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.557 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . -60.99 -35.21 76.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 109.972 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.09 -36.25 51.8 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.404 -0.903 . . . . 0.0 110.966 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -40.6 76.48 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-O 120.603 0.239 . . . . 0.0 110.81 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 1.0 OUTLIER -68.02 -53.19 27.69 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.753 0.311 . . . . 0.0 110.623 -179.524 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -57.91 -37.44 74.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.418 ' CD2' HD22 ' A' ' 74' ' ' LEU . 23.4 t80 -70.47 -43.41 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.754 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -42.88 90.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.212 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 2.2 t -74.4 -28.96 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.082 0.468 . . . . 0.0 109.816 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD13 ' CZ3' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -63.34 -44.73 94.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.877 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.737 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 60.4 mt -82.57 -49.35 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 111.638 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' GLN . 57.8 m-20 -68.83 -16.67 63.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 2.9 tp-100 -23.91 -73.14 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.048 -0.978 . . . . 0.0 113.373 -178.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -54.78 152.98 6.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.106 0.479 . . . . 0.0 112.131 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.98 88.68 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -62.01 116.6 5.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.359 0.6 . . . . 0.0 111.048 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -134.68 -66.66 0.59 Allowed 'General case' 0 C--O 1.23 0.068 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.834 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -126.36 91.63 3.4 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' CE1' ' A' ' 92' ' ' HIS . . . -73.08 88.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -177.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.32 -63.39 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.264 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.5 p -32.08 154.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.2 p -50.4 137.31 18.99 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.971 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.508 ' CB ' HD23 ' A' ' 89' ' ' LEU . 3.1 pp20? -74.82 -44.74 47.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.696 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.89 -43.09 69.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.712 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.48 -56.25 23.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.443 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 41.5 tpp -57.97 -42.35 84.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.3 t -56.43 -45.68 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.685 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -63.24 -37.05 85.7 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.596 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 39.2 t -57.68 -36.71 55.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.276 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.515 HG23 ' CE2' ' A' ' 81' ' ' PHE . 32.4 t -70.72 -47.5 63.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.796 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 45' ' ' MET . 3.8 mt-10 -61.37 -44.14 97.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.867 0.365 . . . . 0.0 110.665 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.9 -46.45 84.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.769 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.47 ' CZ3' HD13 ' A' ' 21' ' ' LEU . 16.5 m0 -59.05 -49.41 78.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 1.9 ptm -61.72 -42.06 98.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.09 -44.41 76.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.902 0.382 . . . . 0.0 110.388 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -58.41 -36.56 73.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.442 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.38 -46.29 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.765 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 50' ' ' ASN . 1.4 tp -57.08 -48.92 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.422 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -66.5 -44.56 82.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.909 0.385 . . . . 0.0 111.071 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.76 -27.58 67.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -84.7 -41.34 16.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.762 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 50' ' ' ASN . 13.4 ptm180 -58.08 -40.76 81.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.603 0.24 . . . . 0.0 110.999 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -32.78 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 46.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.758 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 t -148.3 89.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.8 m -92.6 27.58 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.79 -171.84 27.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.165 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.38 161.09 4.39 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HA ' ' CG ' ' A' ' 63' ' ' ARG . 29.2 Cg_endo -62.16 -26.77 78.08 Favored 'Trans proline' 0 CA--C 1.517 -0.343 0 C-N-CA 122.468 2.112 . . . . 0.0 112.164 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 10.4 mt-30 -72.94 -48.42 37.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -43.59 80.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.139 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' CG ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -74.41 -47.66 32.47 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.079 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.54 -40.45 83.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.997 0.427 . . . . 0.0 110.953 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -73.95 -40.96 62.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.73 -32.21 71.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 0.0 110.62 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.26 -45.93 58.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.689 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 65' ' ' LYS . 11.8 pt20 -63.39 -36.58 84.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.046 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -35.76 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.892 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.44 -51.98 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.174 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -36.61 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.494 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' HG23 ' A' ' 76' ' ' THR . 5.4 tp60 -69.59 -49.3 55.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 8.4 pt-20 -58.53 -43.53 89.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 39.7 mt -65.94 -41.3 91.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.609 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -67.73 -31.99 72.3 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 72' ' ' GLN . 9.1 t -81.88 -28.42 32.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.507 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 mt -81.53 -39.93 23.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.74 -20.15 50.66 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.444 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.54 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -59.11 -54.94 51.46 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.946 -178.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -60.0 -37.63 83.69 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 121.98 1.786 . . . . 0.0 111.785 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.737 ' CD2' ' HB3' ' A' ' 22' ' ' LEU . 2.9 t80 -67.42 -35.54 79.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.414 HD13 ' CG1' ' A' ' 41' ' ' VAL . 6.8 mp -77.54 -39.22 46.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.78 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.56 -36.03 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.152 0.501 . . . . 0.0 109.991 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 6.2 ttpm? -69.59 -46.4 66.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.606 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 6.1 t80 -61.77 -44.99 95.79 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.822 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -57.39 -54.48 46.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.958 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -38.77 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.536 0.684 . . . . 0.0 109.477 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -61.19 -51.37 69.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.975 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.508 HD23 ' CB ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -74.24 -24.89 59.37 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.552 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -87.36 -13.84 42.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.46 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -77.38 -59.43 2.78 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 89' ' ' LEU . 17.6 p-80 -60.19 124.04 19.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.578 0.704 . . . . 0.0 112.295 -177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -152.11 134.2 15.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.768 -1.106 . . . . 0.0 111.235 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.73 142.35 28.18 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.571 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.7 -97.86 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 122.436 2.09 . . . . 0.0 112.647 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 5.4 m -60.0 98.46 0.06 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.882 0.372 . . . . 0.0 111.251 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.403 ' CG ' ' O ' ' A' ' 96' ' ' SER . 1.6 m-70 168.66 87.0 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.704 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.73 110.3 2.08 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.582 2.188 . . . . 0.0 112.258 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.47 152.45 38.66 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.442 2.095 . . . . 0.0 112.513 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.64 -176.42 2.0 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.544 2.163 . . . . 0.0 112.234 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.73 174.88 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 15.9 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 1' ' ' SER . . . 163.47 53.66 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.926 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -102.38 102.65 13.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.922 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 3' ' ' LEU . 4.0 mt 43.78 103.84 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.037 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.4 -24.24 1.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.576 -179.551 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.53 93.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.021 0.439 . . . . 0.0 110.644 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -63.46 -46.45 86.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -65.93 -31.6 72.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.941 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.442 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -65.45 -49.08 70.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.231 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.24 -46.47 90.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.871 0.367 . . . . 0.0 110.826 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mt -58.4 -50.6 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -58.98 -37.21 76.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.785 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.733 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -65.68 -45.91 81.09 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.87 79.01 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.005 -1.093 . . . . 0.0 111.224 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.86 -40.36 63.3 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.569 0.223 . . . . 0.0 110.774 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.733 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -69.44 -43.2 73.81 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.774 0.321 . . . . 0.0 110.384 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.75 -46.73 89.32 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 3.4 t80 -55.51 -49.05 73.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.624 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -56.75 -40.47 75.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.247 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.9 -42.5 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.146 0.498 . . . . 0.0 110.307 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 4.3 tp -58.97 -48.42 81.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.845 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' CD2' ' CD2' ' A' ' 81' ' ' PHE . 16.3 mt -59.8 -42.35 93.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.268 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.95 -33.93 71.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.91 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -85.97 62.25 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.056 0.455 . . . . 0.0 110.936 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG3' ' HE1' ' A' ' 37' ' ' MET . 0.5 OUTLIER -110.93 176.59 4.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.459 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 19.9 t -94.81 62.82 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 121.259 0.552 . . . . 0.0 111.981 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 69.7 m-85 -64.82 167.3 7.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.641 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 27' ' ' PHE . 1.5 m-80 82.36 -88.48 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.602 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 26.8 m-20 -58.42 159.12 6.6 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.511 ' CB ' ' CE1' ' A' ' 92' ' ' HIS . . . -126.12 71.09 1.24 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.222 -0.299 . . . . 0.0 110.516 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.511 ' N ' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -152.19 56.64 0.83 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.159 0.504 . . . . 0.0 111.493 -178.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' CG1' ' OH ' ' A' ' 85' ' ' TYR . 13.8 p -133.09 16.15 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.83 112.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.347 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.747 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.7 -35.2 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.764 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.31 -55.45 28.07 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.498 ' HE1' ' CZ ' ' A' ' 85' ' ' TYR . 55.7 tpp -59.34 -46.4 88.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.01 -42.9 80.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.2 m -64.29 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 110.228 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 16.7 t -61.32 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.978 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.62 -43.91 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.845 0.355 . . . . 0.0 110.489 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -39.97 94.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.824 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -38.91 83.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.603 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.462 ' CE3' ' CD2' ' A' ' 21' ' ' LEU . 15.8 m0 -67.33 -48.45 67.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.757 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.404 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 28.0 ttm -57.99 -48.89 78.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.539 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.38 -41.04 98.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.166 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -67.72 -32.17 72.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.553 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.79 -46.32 58.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 45' ' ' MET . 1.3 mp -62.08 -40.41 87.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.582 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 7.1 m120 -68.85 -39.31 79.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.97 -31.87 51.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.891 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.38 -38.28 60.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.586 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 14.3 ptp180 -55.51 -21.58 17.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.572 0.225 . . . . 0.0 111.51 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -75.84 -32.96 60.02 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 111.359 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -86.53 25.97 1.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.827 ' O ' ' N ' ' A' ' 58' ' ' GLY . 9.4 t -94.58 26.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -26.96 -15.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.827 ' N ' ' O ' ' A' ' 56' ' ' VAL . . . -68.15 175.22 28.74 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 176.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.589 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -80.85 177.58 2.92 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 119.503 1.652 . . . . 0.0 111.341 -179.368 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.7 Cg_endo -44.88 -33.97 8.05 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.949 2.433 . . . . 0.0 113.057 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 7.7 pt20 -69.14 -38.74 78.97 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -67.94 -33.5 74.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.578 178.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.516 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -72.02 -55.39 7.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.234 179.339 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -40.58 79.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -76.87 -47.36 21.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.774 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -63.15 -39.16 93.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.046 0.45 . . . . 0.0 110.642 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.5 mt -69.37 -46.01 67.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.448 ' HG2' ' HA ' ' A' ' 65' ' ' LYS . 6.1 pt20 -64.76 -39.01 92.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.903 0.382 . . . . 0.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.4 -35.82 80.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.22 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -51.78 41.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.096 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -36.03 77.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -65.77 -50.28 65.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.19 -33.54 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.342 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 mt -71.27 -50.99 27.0 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.263 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -61.07 -24.8 66.48 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.755 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.2 m -87.29 -22.85 24.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.76 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.36 -38.87 15.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.97 0.414 . . . . 0.0 110.29 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.61 -18.25 45.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.24 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.461 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -59.2 -55.85 42.03 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.052 -179.032 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 43.0 Cg_endo -68.5 -29.11 31.3 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.118 1.879 . . . . 0.0 112.494 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.442 ' CD2' ' CD2' ' A' ' 22' ' ' LEU . 9.5 t80 -73.94 -48.16 32.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.562 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -39.71 94.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.481 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.568 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . . . -70.62 -46.04 64.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 110.311 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -61.37 -38.99 89.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.861 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.498 ' CZ ' ' HE1' ' A' ' 37' ' ' MET . 6.0 t80 -72.47 -43.6 63.47 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.352 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.568 ' HG2' ' HA ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -59.58 -31.76 69.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.173 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 86' ' ' ARG . 0.7 OUTLIER -75.57 -35.02 60.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.038 178.672 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -65.62 -41.99 92.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.875 178.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -74.61 -39.35 62.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.798 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -2.28 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.7 p -71.97 -1.0 12.92 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.511 ' CE1' ' CB ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -60.13 174.28 0.54 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.037 -0.414 . . . . 0.0 110.976 -179.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.88 -50.78 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 pp -143.9 142.27 20.1 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.1 -88.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.092 . . . . 0.0 112.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.09 99.87 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.819 0.342 . . . . 0.0 111.019 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.405 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 13.6 p-80 -106.11 141.68 23.26 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.781 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -86.35 109.11 0.91 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.894 2.396 . . . . 0.0 112.64 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 97' ' ' HIS . 69.5 Cg_endo -92.01 149.77 3.21 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.884 2.39 . . . . 0.0 112.529 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.28 169.4 22.35 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.472 2.115 . . . . 0.0 112.003 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.74 -3.7 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.536 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.874 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.823 0.344 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -48.69 171.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.486 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -157.05 42.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 4.7 mp 69.63 71.73 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.732 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -51.79 -22.55 3.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.713 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.34 -40.5 59.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 0.0 111.45 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -70.18 -46.53 64.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.237 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -27.13 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.675 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -71.96 -46.47 57.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.113 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.27 -43.71 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.917 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 mt -63.73 -51.56 68.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.578 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -34.81 76.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.659 0.266 . . . . 0.0 110.982 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.96 93.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 109.901 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.06 -35.78 89.64 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.39 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -40.08 87.58 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.064 0.459 . . . . 0.0 110.084 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -68.48 -53.07 25.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.064 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.44 -43.09 75.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.455 ' CD2' ' CD2' ' A' ' 74' ' ' LEU . 4.6 t80 -66.33 -43.7 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.636 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -41.85 90.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.52 -40.5 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.488 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' CD1' ' CH2' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -56.55 -47.53 79.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.203 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' A' ' 81' ' ' PHE . 3.9 mt -73.37 -38.25 65.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.687 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -65.91 -19.24 65.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -88.31 57.06 4.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 111.79 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.5 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -110.54 176.75 4.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.09 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 t -97.05 50.55 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 59.3 m-85 -63.07 87.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.999 0.904 . . . . 0.0 110.284 -178.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.424 ' N ' ' CE2' ' A' ' 88' ' ' PHE . 56.9 t30 175.72 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 113.733 -1.576 . . . . 0.0 108.018 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.26 161.11 19.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 113.99 -1.459 . . . . 0.0 107.309 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 31' ' ' LEU . . . -124.14 160.29 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 119.287 0.949 . . . . 0.0 109.505 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' O ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER 173.44 165.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.586 0.231 . . . . 0.0 110.441 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER 61.63 128.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.8 m -53.64 157.81 2.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.43 -44.67 76.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.62 -30.09 65.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.713 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -55.14 30.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.178 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.435 ' HG2' ' CD2' ' A' ' 85' ' ' TYR . 4.1 tpt -57.94 -48.5 79.75 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.6 t -56.18 -44.42 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.63 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.3 m -63.63 -37.95 89.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 109.921 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.463 ' CG1' ' CH2' ' A' ' 44' ' ' TRP . 59.9 t -55.0 -51.53 52.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.554 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.68 -32.77 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.956 0.408 . . . . 0.0 110.091 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -44.11 91.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.415 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.451 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 2.3 p30 -73.05 -39.04 66.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.694 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.481 ' CH2' ' CD1' ' A' ' 21' ' ' LEU . 35.7 m0 -62.66 -49.63 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.969 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.2 ttm -60.7 -48.99 79.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.589 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -63.78 -42.19 97.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.516 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -63.52 -35.72 81.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.548 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.9 -48.79 62.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.0 mm -58.31 -48.47 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.001 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -60.01 -47.83 84.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.094 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -63.25 -49.49 73.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -61.92 -36.77 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HA ' HD23 ' A' ' 67' ' ' LEU . 40.3 tpt85 -52.91 -37.41 60.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.98 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -26.17 20.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.22 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -78.88 -18.56 53.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.885 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 57' ' ' THR . 93.9 t -69.39 -87.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 121.136 -0.226 . . . . 0.0 111.108 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER 87.91 -168.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.694 0.397 . . . . 0.0 110.09 -179.026 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.39 -172.68 54.68 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.678 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 4.3 mt-10 -56.92 167.79 0.99 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 117.12 0.46 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 30.7 Cg_endo -63.57 -28.25 69.9 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.466 2.111 . . . . 0.0 112.595 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -68.82 -48.06 64.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.973 0.416 . . . . 0.0 110.097 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.91 -40.58 84.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -73.52 -55.06 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.91 -38.6 76.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.555 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -72.36 -47.25 50.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.811 0.339 . . . . 0.0 111.273 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.72 89.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.119 0.485 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 53' ' ' ARG . 4.3 mm? -68.37 -45.97 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.147 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 1.1 pp0? -64.54 -32.35 73.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.528 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 5.5 mt-10 -69.46 -40.81 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.078 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.698 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -65.94 -51.81 55.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.005 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 ttm105 -57.58 -34.92 69.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.034 0.445 . . . . 0.0 110.132 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.417 ' HA ' ' ND2' ' A' ' 75' ' ' ASN . 4.6 tp-100 -72.08 -50.5 27.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.037 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.698 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 1.2 pp20? -59.37 -40.24 85.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.036 0.446 . . . . 0.0 110.234 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' CD2' ' CD2' ' A' ' 18' ' ' PHE . 37.9 mt -64.96 -46.92 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.935 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 76' ' ' THR . 25.8 p30 -65.94 -31.09 71.81 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.321 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.487 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 14.3 t -82.82 -28.45 30.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.468 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.95 -41.67 25.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.421 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.66 -21.18 61.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.5 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.492 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -59.08 -56.43 36.19 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.329 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 22.8 Cg_endo -61.57 -37.0 73.22 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.121 1.881 . . . . 0.0 112.476 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.433 ' CE2' HD21 ' A' ' 22' ' ' LEU . 4.1 t80 -63.8 -34.87 78.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -35.09 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.46 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.35 -37.77 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.11 0.481 . . . . 0.0 109.986 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 27' ' ' PHE . 2.7 tttm -63.96 -45.78 87.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.365 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.435 ' CD2' ' HG2' ' A' ' 37' ' ' MET . 2.5 t80 -67.17 -38.92 86.24 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.648 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -60.59 -37.68 82.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.048 0.451 . . . . 0.0 110.342 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -39.33 71.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.424 ' CE2' ' N ' ' A' ' 28' ' ' ASN . 8.9 t80 -73.78 -28.17 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.709 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -48.02 33.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.631 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -26.1 47.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.519 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.3 m -80.66 -53.03 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.502 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.43 ' CE1' HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -61.65 119.44 8.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.241 0.543 . . . . 0.0 111.995 -179.047 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -110.25 131.25 55.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.874 179.113 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.49 ' H ' ' HD2' ' A' ' 95' ' ' PRO . 93.5 mt -160.63 -57.41 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.49 ' HD2' ' H ' ' A' ' 94' ' ' LEU . 35.4 Cg_endo -64.78 56.7 0.26 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.639 2.226 . . . . 0.0 113.841 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 1.3 t -74.47 -39.45 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.412 . . . . 0.0 110.246 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.488 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 15.8 m80 -166.66 48.85 0.18 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.653 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.491 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 1.8 Cg_endo -44.58 -57.31 2.08 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.019 2.479 . . . . 0.0 113.188 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 98' ' ' PRO . 6.2 Cg_endo -48.91 105.6 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.51 2.14 . . . . 0.0 112.434 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.05 94.14 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.519 2.146 . . . . 0.0 112.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.15 168.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.767 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.849 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.839 0.352 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.01 31.38 5.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 169.71 -41.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.346 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mt 54.5 101.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.208 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.57 -34.92 12.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.895 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.94 -33.6 25.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.217 0.532 . . . . 0.0 110.224 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.15 -39.82 65.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.854 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -40.16 92.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.221 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.79 -41.44 97.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.742 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -45.9 91.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.461 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 mm -65.1 -51.57 64.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.3 t -60.6 -41.96 95.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.644 0.259 . . . . 0.0 111.169 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.88 89.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.98 0.419 . . . . 0.0 110.208 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -75.05 -30.64 58.82 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.33 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -39.85 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -65.64 -53.11 45.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.192 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 2.4 pp20? -56.17 -39.22 72.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.971 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.487 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 6.8 t80 -60.83 -49.09 78.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.019 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.09 -38.71 80.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.379 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.73 -32.45 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.126 0.488 . . . . 0.0 110.242 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD1' ' CZ3' ' A' ' 44' ' ' TRP . 9.2 tp -77.06 -45.17 27.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.502 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 80.8 mt -66.08 -34.3 77.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' A' ' 25' ' ' GLN . 8.6 m-80 -85.59 -26.73 25.94 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -60.26 14.13 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 14.2 mm-40 -82.77 176.79 9.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 118.238 0.472 . . . . 0.0 110.253 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.3 t -103.03 50.95 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' GLN . 2.2 m-85 -62.64 93.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.393 0.616 . . . . 0.0 110.401 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -156.88 -50.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.475 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.43 108.03 10.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.906 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -71.45 109.93 5.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.923 0.868 . . . . 0.0 112.901 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.574 ' O ' ' CB ' ' A' ' 32' ' ' VAL . 1.8 mp -170.79 170.08 6.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 113.745 -1.571 . . . . 0.0 107.612 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.574 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 1.3 p 112.87 -53.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.246 0.619 . . . . 0.0 111.786 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 11.2 t 146.44 129.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.797 0.439 . . . . 0.0 110.579 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -74.7 -47.01 33.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.66 -29.7 70.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.815 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.39 -56.15 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.429 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.465 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 52.8 tpp -58.05 -47.04 84.34 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.63 -44.86 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.162 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -34.22 77.51 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-O 120.989 0.423 . . . . 0.0 110.388 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.47 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 29.6 t -63.73 -48.97 84.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.05 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.419 HG23 ' CE2' ' A' ' 81' ' ' PHE . 31.3 t -59.94 -47.59 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -41.08 98.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.395 . . . . 0.0 110.698 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -60.99 -50.32 73.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.31 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.472 ' CZ3' ' CD1' ' A' ' 21' ' ' LEU . 49.8 m0 -61.19 -48.78 79.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.509 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.3 ttp -55.76 -48.83 74.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.783 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -63.47 -39.64 94.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.827 0.346 . . . . 0.0 110.959 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -65.82 -38.53 89.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.423 . . . . 0.0 110.455 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 2.5 m-85 -65.49 -48.4 72.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.029 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.1 -48.0 88.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.759 0.314 . . . . 0.0 110.786 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -35.32 77.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.457 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -82.21 -30.68 30.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -76.02 -40.52 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.569 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HA ' ' CD2' ' A' ' 67' ' ' LEU . 4.2 ptm85 -53.4 -30.16 38.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 111.081 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -80.8 -15.18 57.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.468 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -95.48 23.5 5.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.783 0.325 . . . . 0.0 111.475 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' A' ' 57' ' ' THR . 14.1 t -98.99 -83.94 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.041 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 56' ' ' VAL . 2.5 p 88.06 4.51 0.27 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.096 0.558 . . . . 0.0 111.605 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.92 -179.85 48.8 Favored Glycine 0 C--N 1.331 0.302 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 3.7 pm0 -67.45 162.71 53.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 117.817 0.809 . . . . 0.0 110.717 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 5.3 Cg_endo -47.09 -32.32 13.25 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.751 2.301 . . . . 0.0 112.699 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.47 -47.96 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.488 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -35.89 82.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.469 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -70.85 -49.85 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.743 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -36.11 77.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -64.73 -47.33 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.507 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.35 -53.0 59.45 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.727 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 53' ' ' ARG . 3.4 mm? -53.53 -31.95 48.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.648 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -71.96 -41.64 67.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -69.32 -37.38 77.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.251 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -45.42 78.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.144 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -43.14 98.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.516 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -62.53 -49.45 75.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.16 -43.8 95.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.425 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.96 -43.85 94.81 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.411 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -64.79 -36.4 84.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 12.0 m -67.97 -39.53 83.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.362 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -79.46 -37.13 37.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.362 0.601 . . . . 0.0 109.965 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.35 56.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.196 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.517 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.4 m-20 -58.47 -53.91 61.31 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.113 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 31.7 Cg_endo -63.8 -31.37 68.38 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 121.826 1.684 . . . . 0.0 111.964 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.502 ' CG ' ' HB3' ' A' ' 22' ' ' LEU . 10.9 t80 -74.34 -49.75 21.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.241 0.543 . . . . 0.0 111.141 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 tt -73.08 -35.09 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.597 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 86' ' ' ARG . . . -76.74 -37.95 55.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 110.721 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -70.9 -35.04 72.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.947 179.295 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.465 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 30.3 t80 -73.09 -48.13 38.42 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.869 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.58 ' HA ' ' CD1' ' A' ' 89' ' ' LEU . 11.1 ptm180 -59.75 -41.54 91.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.493 0.663 . . . . 0.0 109.849 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' SER . 2.4 m-20 -70.54 -31.83 69.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.216 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 66.6 t80 -66.85 -52.44 43.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.108 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.58 ' CD1' ' HA ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -75.38 -22.34 57.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.555 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -89.08 -14.79 35.51 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.742 0.306 . . . . 0.0 111.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 32.5 t -98.59 -52.29 3.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.887 0.375 . . . . 0.0 111.006 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 122.39 15.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.702 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.46 119.51 10.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.078 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.507 ' H ' ' HD2' ' A' ' 95' ' ' PRO . 3.3 mt -119.34 -64.26 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.507 ' HD2' ' H ' ' A' ' 94' ' ' LEU . 31.1 Cg_endo -63.97 62.85 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.585 2.19 . . . . 0.0 113.385 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t 72.44 175.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.067 0.461 . . . . 0.0 111.504 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.422 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 53.4 p-80 -98.67 158.13 33.03 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.722 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 97' ' ' HIS . 6.0 Cg_endo -48.27 150.98 4.79 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.649 2.233 . . . . 0.0 111.994 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.61 107.25 2.34 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.757 2.304 . . . . 0.0 112.5 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 98' ' ' PRO . 35.5 Cg_endo -94.48 -77.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.22 2.614 . . . . 0.0 112.46 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 1.5 m 80.59 -1.42 1.89 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.636 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.1 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.01 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.6 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 40.8 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.441 0.162 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.6 ' CB ' ' O ' ' A' ' 1' ' ' SER . . . 106.57 123.27 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.219 0.608 . . . . 0.0 110.902 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.34 -164.0 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.53 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 mp -90.81 127.38 36.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.629 0.252 . . . . 0.0 110.363 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -48.7 -28.22 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.469 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.48 81.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.86 -46.54 68.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.667 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -65.29 -37.11 86.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.385 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.87 -48.82 78.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.337 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -45.41 93.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.283 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 mt -62.4 -51.26 74.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.331 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.3 m -64.48 -35.83 82.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.298 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.86 71.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.753 0.311 . . . . 0.0 110.617 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.73 -34.63 83.71 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.524 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -39.79 79.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 110.213 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -53.13 59.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.412 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.31 -41.45 79.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.5 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -59.67 -40.49 87.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -41.57 82.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.525 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.79 -36.92 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.144 0.497 . . . . 0.0 110.781 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.407 HD13 ' CH2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -79.25 -42.35 26.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.838 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.528 ' CD2' ' CD2' ' A' ' 81' ' ' PHE . 5.2 tt -65.83 -36.59 83.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.04 -0.42 44.29 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.03 21.31 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.608 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 46.2 mm-40 -76.72 176.77 8.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.713 0.292 . . . . 0.0 110.964 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 31' ' ' LEU . 14.6 p -106.46 51.47 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.608 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 98.5 m-85 -62.74 85.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.858 0.837 . . . . 0.0 110.447 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 175.27 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.137 -1.392 . . . . 0.0 107.738 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.15 160.69 29.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.78 156.87 37.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 119.868 1.213 . . . . 0.0 109.38 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -139.71 6.77 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.696 -0.402 . . . . 0.0 112.052 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.9 p -170.36 161.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.923 0.392 . . . . 0.0 111.719 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.74 165.43 6.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -66.6 -34.95 79.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -37.8 76.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.6 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.67 -53.71 55.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.273 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.444 ' CG ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.91 -43.32 86.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.3 t -56.43 -44.68 80.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.999 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.8 m -68.99 -38.03 79.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 110.157 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.9 t -60.51 -49.6 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.599 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.39 -48.03 88.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.371 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -38.88 90.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.73 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -51.23 68.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.974 0.416 . . . . 0.0 110.348 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.407 ' CH2' HD13 ' A' ' 21' ' ' LEU . 50.7 m0 -58.89 -47.34 85.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.773 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 41.1 ttp -60.69 -45.12 95.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -66.38 -43.26 86.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.016 0.436 . . . . 0.0 110.447 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -63.84 -36.2 83.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.721 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -75.1 -46.07 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 50' ' ' ASN . 3.6 tp -61.01 -45.23 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.999 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -67.88 -48.01 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.291 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -59.96 -46.1 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -68.61 -30.91 69.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.699 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -32.48 52.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -82.03 -32.65 30.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -68.36 50.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.251 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.2 OUTLIER -147.67 177.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.161 179.696 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 4.2 t 143.91 -15.97 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.994 0.809 . . . . 0.0 110.827 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . -70.75 0.65 26.91 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.009 -0.615 . . . . 0.0 114.135 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 1.4 pt-20 153.74 149.21 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 117.431 0.615 . . . . 0.0 111.308 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.88 -31.29 84.9 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.363 2.042 . . . . 0.0 110.657 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -69.45 -29.79 67.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.579 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.491 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -71.03 -53.15 15.76 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.938 179.123 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -64.5 -54.9 25.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.464 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.79 -44.66 82.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.966 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -77.39 -36.84 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.705 0.288 . . . . 0.0 111.632 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -66.33 -49.68 66.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 0.0 110.551 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.09 -42.2 85.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.301 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -38.68 81.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 110.485 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -69.55 -32.77 71.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.019 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -51.97 27.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -57.29 -36.48 71.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.685 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -74.51 -50.53 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.708 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -56.63 -51.04 70.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.076 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.62 -48.75 80.45 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.581 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -57.85 -26.99 62.81 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.467 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.25 -23.34 28.26 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.38 -49.05 11.14 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.234 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.04 -21.82 64.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.277 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.432 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -58.62 -59.57 13.18 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.688 -178.531 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 34.2 Cg_endo -64.24 -25.73 64.7 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.18 1.92 . . . . 0.0 112.355 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' CD2' ' CD2' ' A' ' 22' ' ' LEU . 1.4 t80 -73.31 -47.53 41.95 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.943 0.402 . . . . 0.0 111.216 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -63.85 -39.76 94.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.062 -179.65 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.71 -34.76 69.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.042 0.449 . . . . 0.0 110.01 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -45.21 87.26 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.746 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.444 ' CE2' ' CG ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -74.58 -28.74 61.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.897 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -72.21 -41.79 66.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.547 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 91' ' ' SER . 0.1 OUTLIER -69.14 -41.89 76.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.434 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 1.5 t80 -70.61 -35.07 72.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.461 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -44.84 52.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.494 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -26.22 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 73.3 p -71.12 4.1 2.99 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.57 112.36 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.469 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER 56.76 92.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.439 -179.53 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.578 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 7.3 mt 118.03 147.57 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 124.113 0.965 . . . . 0.0 110.045 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.527 ' O ' ' C ' ' A' ' 96' ' ' SER . 83.5 Cg_endo -79.16 -37.06 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.714 2.276 . . . . 0.0 113.188 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.527 ' C ' ' O ' ' A' ' 95' ' ' PRO . 3.2 t 8.71 73.27 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.463 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 1.3 t60 176.72 -59.39 0.0 OUTLIER Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.655 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 97' ' ' HIS . 11.0 Cg_endo -55.16 167.35 1.79 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.468 2.112 . . . . 0.0 112.803 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.41 ' CB ' ' HD2' ' A' ' 100' ' ' PRO . 36.7 Cg_endo -65.37 173.59 6.18 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.867 2.378 . . . . 0.0 112.426 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.41 ' HD2' ' CB ' ' A' ' 99' ' ' PRO . 12.1 Cg_endo -55.81 -161.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.703 2.269 . . . . 0.0 112.303 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.9 p -130.82 109.23 10.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.861 0.362 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.49 -89.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.044 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.25 -161.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.56 148.17 22.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.146 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -48.49 -28.64 3.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.743 0.306 . . . . 0.0 111.085 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.58 -46.53 66.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.095 0.474 . . . . 0.0 110.341 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -73.54 -45.27 54.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.267 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -60.97 -43.57 98.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.343 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.73 -43.66 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.194 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -45.54 85.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.899 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.52 -51.5 67.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.306 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -60.43 -41.95 95.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.82 92.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.0 110.291 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.13 -28.57 71.41 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.653 -0.785 . . . . 0.0 111.528 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.21 -39.83 68.28 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.638 0.256 . . . . 0.0 110.865 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HG2' ' N ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -71.13 -43.23 68.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.76 0.314 . . . . 0.0 110.961 -179.62 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 5.1 tt0 -63.58 -44.3 94.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.318 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.477 ' CE2' ' CD1' ' A' ' 22' ' ' LEU . 10.4 t80 -64.8 -43.53 92.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.738 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 p -63.18 -41.67 99.24 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 t -69.74 -41.25 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.309 0.576 . . . . 0.0 110.238 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD1' ' CZ3' ' A' ' 44' ' ' TRP . 2.8 tp -61.03 -49.05 78.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.025 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.482 HD21 ' CE2' ' A' ' 81' ' ' PHE . 90.3 mt -69.26 -31.9 70.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.949 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.521 ' C ' ' H ' ' A' ' 25' ' ' GLN . 18.7 m-80 -84.06 -32.2 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -59.28 24.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' H ' ' C ' ' A' ' 23' ' ' ASN . 15.8 mm-40 -88.07 176.78 7.14 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.894 -0.504 . . . . 0.0 109.945 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.4 m -102.45 50.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 31.5 m-85 -62.93 101.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.388 0.613 . . . . 0.0 110.841 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -170.01 -46.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.785 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.47 101.93 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.284 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' CB ' ' NE2' ' A' ' 92' ' ' HIS . . . -71.05 115.41 10.16 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 122.236 1.017 . . . . 0.0 113.109 -175.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.588 ' O ' ' CB ' ' A' ' 32' ' ' VAL . 0.6 OUTLIER 179.69 160.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 113.272 -1.786 . . . . 0.0 107.941 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.7 p 126.43 -51.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.203 0.601 . . . . 0.0 110.728 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 3.4 t 150.44 129.13 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.929 0.491 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' HB2' ' CD2' ' A' ' 89' ' ' LEU . 42.1 tt0 -74.63 -47.19 33.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.969 0.414 . . . . 0.0 111.526 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -28.95 67.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.254 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.96 -54.58 32.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 0.0 110.137 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.447 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.94 -50.29 73.86 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.632 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.28 -44.68 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.0 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.5 m -63.17 -35.73 81.28 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.416 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.467 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 45.6 t -62.48 -49.13 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.424 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 47.0 t -59.68 -48.85 85.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.759 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -43.59 96.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.757 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -50.66 72.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.467 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 45.8 m0 -59.39 -48.62 80.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.964 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.5 ttp -55.24 -48.98 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.301 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -62.82 -42.41 99.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -63.86 -33.57 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -69.84 -49.62 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.79 -50.99 77.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.76 -43.72 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.367 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -66.47 -49.6 66.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 111.153 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -61.68 -33.63 74.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.41 -38.77 69.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -84.35 -0.61 53.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.579 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.91 30.25 5.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.716 0.293 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 t -143.14 118.22 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.158 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -160.86 56.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . -135.07 10.56 4.47 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.621 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 1.3 pt-20 147.6 144.62 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.556 0 C-N-CA 123.571 0.748 . . . . 0.0 110.691 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.94 -28.17 76.59 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.217 1.944 . . . . 0.0 110.725 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -71.1 -33.78 70.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.169 178.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.621 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -70.69 -41.47 71.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.429 179.251 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -73.37 -55.85 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.063 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.56 -41.24 89.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -76.86 -37.19 56.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.881 -179.053 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -74.56 -37.13 63.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.966 0.412 . . . . 0.0 110.769 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.0 mt -72.08 -38.59 69.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.202 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -68.45 -39.95 81.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.94 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -33.84 75.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.827 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.68 -52.1 48.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.223 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -58.85 -37.19 75.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.078 0.466 . . . . 0.0 110.354 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -70.77 -46.58 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.697 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.455 ' CG ' HD21 ' A' ' 74' ' ' LEU . 7.8 pt-20 -68.57 -22.89 64.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.741 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 HD21 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -79.82 -48.38 13.64 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.957 178.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 55.5 m-80 -67.06 -25.93 66.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.6 m -83.29 -33.14 26.03 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.94 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.4 -33.25 25.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.082 0.467 . . . . 0.0 110.262 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.6 -21.21 38.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.136 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -59.12 -52.25 76.01 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 -178.498 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 42.9 Cg_endo -68.73 -31.2 26.25 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 121.97 1.78 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.482 ' CE2' HD21 ' A' ' 22' ' ' LEU . 1.7 t80 -71.92 -46.36 57.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.476 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.6 mt -69.69 -39.77 76.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.334 -0.394 . . . . 0.0 112.002 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.08 -35.13 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.019 0.438 . . . . 0.0 110.411 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -67.17 -38.11 84.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.343 179.537 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 37' ' ' MET . 8.0 t80 -71.18 -44.37 65.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.708 0.289 . . . . 0.0 111.216 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -54.46 46.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.027 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -62.3 -38.6 90.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.091 0.472 . . . . 0.0 110.241 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 26.5 t80 -64.08 -41.72 97.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' A' ' 34' ' ' GLU . 15.0 tp -74.3 -33.19 63.13 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -89.89 -18.65 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.9 p -52.97 -48.56 67.32 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.435 ' CD2' ' H ' ' A' ' 92' ' ' HIS . 7.3 p80 -84.94 112.7 20.81 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -133.41 139.25 46.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.459 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -100.79 162.95 19.07 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.696 0.284 . . . . 0.0 110.937 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.28 109.46 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.768 2.312 . . . . 0.0 112.773 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.0 t -120.91 -56.83 1.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.484 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.519 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 10.3 p80 -162.8 45.81 0.16 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.956 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 97' ' ' HIS . 1.2 Cg_endo -45.96 -56.87 2.53 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.923 2.415 . . . . 0.0 112.924 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 98' ' ' PRO . 17.6 Cg_endo -58.16 113.02 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.432 2.088 . . . . 0.0 112.342 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 101' ' ' SER . 73.9 Cg_endo -75.63 108.56 2.72 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.452 2.102 . . . . 0.0 112.309 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 0.2 OUTLIER 85.94 -27.52 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.58 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 21.9 p . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.594 0.235 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 1' ' ' SER . . . 95.89 143.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.022 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.8 OUTLIER 91.3 165.43 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.559 -179.34 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.88 144.48 25.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.248 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.76 -36.83 17.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.279 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.4 -38.19 52.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.971 0.415 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -72.36 -46.61 54.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.766 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -34.12 76.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.593 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -68.95 -44.08 73.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.116 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -45.17 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.85 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mm -63.46 -51.11 74.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.744 0.307 . . . . 0.0 110.749 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 t -65.43 -39.41 92.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.05 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.094 0.473 . . . . 0.0 110.229 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.01 -39.1 59.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.202 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -39.66 82.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.562 0.22 . . . . 0.0 110.866 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -53.21 44.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.958 0.408 . . . . 0.0 110.472 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.26 -37.3 72.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.282 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 3.4 t80 -68.66 -42.7 77.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.552 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.4 p -61.56 -40.17 93.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.806 0.336 . . . . 0.0 111.101 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.7 t -71.56 -37.54 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.403 0.621 . . . . 0.0 109.767 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' CD1' ' CH2' ' A' ' 44' ' ' TRP . 10.6 tp -61.55 -49.2 77.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.725 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 18' ' ' PHE . 52.3 mt -69.57 -32.7 71.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.066 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.558 ' C ' ' H ' ' A' ' 25' ' ' GLN . 12.9 m-20 -76.84 -34.27 57.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -59.72 21.12 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.558 ' H ' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -81.47 176.64 9.52 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.746 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.11 50.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.776 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 25' ' ' GLN . 30.4 m-85 -62.6 96.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.782 0.801 . . . . 0.0 110.406 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -171.24 -69.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.421 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.32 92.13 3.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.591 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.422 ' HB1' ' CE1' ' A' ' 88' ' ' PHE . . . -72.88 101.99 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.141 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -135.27 38.88 2.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.995 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 33' ' ' SER . 0.9 OUTLIER -120.35 -91.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.47 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.424 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -167.39 138.49 3.06 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.926 0.393 . . . . 0.0 111.051 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . 4.8 tp10 -74.74 -47.15 32.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.666 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.67 -33.24 75.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.558 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -55.51 29.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.35 . . . . 0.0 110.148 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.414 ' CE ' ' NE2' ' A' ' 25' ' ' GLN . 37.2 tpp -57.78 -48.78 78.69 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.01 -45.16 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.953 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 m -63.52 -34.74 78.44 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.299 -0.561 . . . . 0.0 110.455 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.462 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 26.0 t -62.15 -51.18 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.215 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.429 HG23 ' CE2' ' A' ' 81' ' ' PHE . 39.8 t -59.42 -49.29 84.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -44.73 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.11 -41.16 91.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.192 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.463 ' CH2' ' CD1' ' A' ' 21' ' ' LEU . 31.3 m0 -66.0 -49.14 68.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.879 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 30.0 ttm -54.1 -49.01 70.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.325 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -42.18 98.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.947 0.403 . . . . 0.0 110.357 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 67.6 t80 -60.74 -36.28 78.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.825 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -69.06 -49.17 59.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.182 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.03 -53.22 45.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.698 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -67.19 -33.46 75.44 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 47' ' ' PHE . 23.3 t80 -73.14 -49.57 27.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.873 0.368 . . . . 0.0 111.206 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -62.2 -35.17 78.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -56.04 -40.31 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.137 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -88.51 -6.41 57.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.119 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' OE1' ' CD2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -96.64 37.39 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.965 0.412 . . . . 0.0 111.099 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.504 ' HB ' ' HD3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -131.66 -162.16 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 -179.629 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.425 ' H ' ' HD3' ' A' ' 63' ' ' ARG . 0.1 OUTLIER 175.2 17.49 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 179.196 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.636 ' H ' ' CD ' ' A' ' 63' ' ' ARG . . . -101.67 -167.02 27.37 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 63' ' ' ARG . 1.9 mp0 -59.59 160.34 14.43 Favored Pre-proline 0 CA--C 1.528 0.099 0 CA-C-N 117.567 0.684 . . . . 0.0 111.194 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.05 -30.04 32.77 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.76 2.307 . . . . 0.0 112.971 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -73.07 -44.92 59.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.462 ' HB3' HH21 ' A' ' 63' ' ' ARG . 1.0 OUTLIER -67.67 -42.4 82.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.619 179.512 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.636 ' CD ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -65.74 -43.8 87.91 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.473 179.332 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.43 -39.89 81.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.138 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -47.58 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.753 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.57 -52.08 54.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -48.53 -39.0 21.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.409 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 3.1 mt-30 -65.78 -50.5 64.49 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.016 0.436 . . . . 0.0 110.361 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.98 -38.02 78.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.296 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -47.48 85.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.176 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -57.73 -50.99 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.186 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 68' ' ' GLN . 2.3 mm100 -57.78 -50.33 73.61 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.81 0.338 . . . . 0.0 111.05 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.37 -49.51 72.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.812 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.412 HD21 ' CE2' ' A' ' 18' ' ' PHE . 46.5 mt -57.14 -43.35 82.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -65.88 -48.83 70.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.171 0.51 . . . . 0.0 109.841 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.426 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 32.6 m -58.38 -34.08 70.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.391 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -80.09 -48.43 13.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.711 0.767 . . . . 0.0 109.165 178.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.43 -28.87 70.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.373 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.446 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -58.31 -58.61 17.65 Favored Pre-proline 0 CA--C 1.53 0.184 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 14.1 Cg_endo -57.48 -31.85 92.52 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 121.756 1.637 . . . . 0.0 112.113 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.429 ' CE2' HG23 ' A' ' 41' ' ' VAL . 2.0 t80 -70.68 -39.79 73.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.566 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.53 -39.61 58.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.452 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.26 66.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.785 0.326 . . . . 0.0 110.688 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -70.96 -37.72 72.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.583 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.29 -39.51 74.81 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.738 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -54.54 37.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.947 0.404 . . . . 0.0 110.033 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -35.82 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.87 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.422 ' CE1' ' HB1' ' A' ' 30' ' ' ALA . 3.1 t80 -60.92 -49.88 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 34' ' ' GLU . 58.4 mt -74.1 -26.88 60.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.762 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -88.29 -10.48 49.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.272 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.407 ' O ' ' CD ' ' A' ' 95' ' ' PRO . 76.0 p -85.71 -55.27 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.384 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.517 ' O ' ' CB ' ' A' ' 93' ' ' GLU . 7.6 m80 -60.05 122.59 14.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 92' ' ' HIS . 0.7 OUTLIER 97.0 -15.44 0.07 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.97 179.474 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.446 ' CB ' ' HD3' ' A' ' 95' ' ' PRO . 4.2 mt -78.39 -60.92 0.59 Allowed Pre-proline 0 C--N 1.329 -0.291 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.528 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.608 ' O ' ' CB ' ' A' ' 96' ' ' SER . 57.4 Cg_endo -77.38 -87.2 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.354 2.036 . . . . 0.0 112.933 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.608 ' CB ' ' O ' ' A' ' 95' ' ' PRO . 13.3 t 109.69 42.57 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.336 0.654 . . . . 0.0 110.337 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 98' ' ' PRO . 0.1 OUTLIER -134.99 168.22 18.86 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.637 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.482 ' HB2' ' HD3' ' A' ' 100' ' ' PRO . 55.4 Cg_endo -68.3 -176.07 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.357 2.038 . . . . 0.0 111.564 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.448 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 59.8 Cg_endo -102.8 37.94 0.05 OUTLIER 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.363 2.709 . . . . 0.0 115.19 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 98' ' ' PRO . 84.8 Cg_endo -81.44 152.42 17.83 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.022 1.815 . . . . 0.0 111.813 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.2 p -169.97 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.03 -5.92 56.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.316 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -159.0 -58.8 0.07 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.07 -179.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.7 mt 99.35 115.07 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.569 0.748 . . . . 0.0 110.343 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' HA ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.13 -29.37 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.554 -178.189 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.94 82.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.349 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.464 ' O ' HG13 ' A' ' 11' ' ' ILE . 65.1 t30 -67.84 -46.52 71.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -68.41 -39.68 81.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.86 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.528 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.423 HD13 ' CE1' ' A' ' 52' ' ' TYR . 1.3 mm? -62.38 -45.78 91.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.43 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 7' ' ' ASN . 16.0 mt -62.96 -51.59 70.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.531 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -67.47 -36.91 82.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.563 0.22 . . . . 0.0 111.222 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.644 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -64.96 -44.65 88.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.967 0.413 . . . . 0.0 110.512 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.18 -34.42 75.54 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.118 -1.039 . . . . 0.0 111.288 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.75 -40.5 69.31 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 121.236 -0.186 . . . . 0.0 110.656 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -65.87 -43.3 88.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.835 0.35 . . . . 0.0 110.142 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -40.86 96.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.985 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CE2' HD12 ' A' ' 22' ' ' LEU . 7.8 t80 -59.11 -49.09 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.809 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -42.55 90.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.462 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.02 -35.64 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.06 0.457 . . . . 0.0 110.467 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD1' ' CH2' ' A' ' 44' ' ' TRP . 1.1 tp -72.54 -45.42 59.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.469 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD12 ' CE2' ' A' ' 18' ' ' PHE . 26.3 mt -63.08 -35.27 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.734 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -6.38 57.13 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -97.22 48.55 1.04 Allowed 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.582 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.8 mp0 -110.96 176.62 4.95 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 t -93.34 50.06 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 60.6 m-85 -63.54 85.62 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.748 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -159.12 -53.93 0.06 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.969 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HB3' ' CG ' ' A' ' 97' ' ' HIS . 3.4 p-10 -125.79 92.08 3.53 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.256 0.55 . . . . 0.0 111.611 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.718 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . -73.32 166.11 23.79 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -177.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.718 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 4.0 mm? 118.2 71.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.287 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.524 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 4.3 p 144.58 -52.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 122.977 0.511 . . . . 0.0 111.348 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 37' ' ' MET . 39.0 m -55.33 -21.76 16.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.313 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.62 -48.27 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.216 -179.341 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -72.99 -53.23 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.294 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.38 -52.21 66.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.47 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.521 ' HB2' ' O ' ' A' ' 33' ' ' SER . 4.0 ttm -57.72 -42.56 84.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.753 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 2.4 t -56.68 -45.2 82.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.77 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -69.13 -37.39 78.29 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 121.074 0.464 . . . . 0.0 110.023 179.174 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.471 HG11 ' CE3' ' A' ' 44' ' ' TRP . 47.0 t -58.59 -51.59 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.717 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.06 -45.09 96.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.448 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.73 -41.74 98.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.674 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -48.01 70.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.77 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.484 ' CH2' ' CD1' ' A' ' 21' ' ' LEU . 24.7 m0 -58.75 -48.63 80.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.568 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 31.3 ttm -57.01 -48.08 79.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -61.23 -42.75 99.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -61.92 -34.48 76.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.015 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -72.24 -46.55 55.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.53 -49.94 78.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.045 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -64.72 -47.0 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -60.11 -49.41 77.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.423 ' CE1' HD13 ' A' ' 10' ' ' LEU . 2.9 m-85 -63.22 -31.89 73.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.77 -37.82 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.784 179.513 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -87.84 -21.75 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.81 31.43 0.96 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.804 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.653 ' O ' ' OG1' ' A' ' 57' ' ' THR . 21.4 t -66.97 -111.8 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.653 ' OG1' ' O ' ' A' ' 56' ' ' VAL . 21.9 p 126.61 -33.91 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.281 1.032 . . . . 0.0 110.855 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.77 -178.16 42.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.113 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.5 mp0 -72.26 172.61 7.03 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 122.239 0.216 . . . . 0.0 110.993 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.521 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.1 Cg_endo -44.99 -35.75 10.52 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.739 2.293 . . . . 0.0 112.623 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -70.97 -48.18 54.78 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -33.03 73.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.285 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 56' ' ' VAL . 24.3 ttm180 -74.36 -55.66 5.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.924 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.76 -36.83 72.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.165 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -47.13 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.15 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.6 98.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.771 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.4 HD22 ' HG3' ' A' ' 63' ' ' ARG . 3.4 mm? -67.73 -41.74 83.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.204 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -69.83 -31.99 70.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.777 0.322 . . . . 0.0 110.759 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HA ' ' HG2' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -71.69 -36.73 70.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.113 0.482 . . . . 0.0 110.193 179.417 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -51.54 58.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.688 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -57.62 -43.66 84.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.576 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 6.1 pt20 -64.38 -39.46 93.9 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.59 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' O ' HG21 ' A' ' 76' ' ' THR . 45.1 mm-40 -64.83 -41.92 95.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.418 HD21 ' CZ ' ' A' ' 18' ' ' PHE . 80.1 mt -65.71 -45.09 84.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.0 -35.92 82.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.014 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.454 HG21 ' O ' ' A' ' 73' ' ' GLU . 1.6 t -80.04 -25.46 40.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.349 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.29 -43.84 20.6 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.8 -19.64 57.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.574 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.496 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -58.85 -54.47 56.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.059 -178.607 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 32.2 Cg_endo -65.2 -32.12 52.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 121.931 1.754 . . . . 0.0 112.041 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 81' ' ' PHE . 1.9 t80 -71.0 -42.31 69.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.99 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 tt -71.42 -40.18 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.456 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.498 ' O ' ' HG3' ' A' ' 86' ' ' ARG . . . -74.95 -33.25 61.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.101 0.477 . . . . 0.0 110.482 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -68.12 -39.74 82.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.135 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.67 -47.84 57.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.461 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -57.45 -42.19 82.02 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.398 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -38.65 91.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.21 -51.23 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.421 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -74.33 -25.53 59.6 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.859 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 1.9 mptt -87.26 -34.13 19.03 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -74.96 -62.12 1.66 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.46 ' CE1' ' CB ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -60.27 149.3 33.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.414 0.625 . . . . 0.0 112.453 -177.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -144.55 29.24 1.27 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.615 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.38 101.42 10.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 96' ' ' SER . 55.2 Cg_endo -70.73 168.2 23.5 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.577 2.185 . . . . 0.0 112.805 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 95' ' ' PRO . 6.0 t 100.13 88.34 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.479 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.596 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 0.4 OUTLIER 172.53 -54.88 0.0 OUTLIER Pre-proline 0 CA--C 1.53 0.181 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.18 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 97' ' ' HIS . 1.4 Cg_endo -42.71 171.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.068 2.512 . . . . 0.0 112.946 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' CB ' ' A' ' 98' ' ' PRO . 4.9 Cg_endo -46.68 166.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.136 2.558 . . . . 0.0 112.772 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.13 119.82 5.47 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.758 2.305 . . . . 0.0 112.555 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.8 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.825 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.951 179.895 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.831 0.348 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -85.33 178.96 7.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.29 87.68 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.0 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 2' ' ' ALA . 11.8 mt -121.98 -3.59 9.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.87 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.69 -40.19 27.3 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.872 0.368 . . . . 0.0 111.152 -179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.07 -34.87 31.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -40.36 88.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.206 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -68.62 -31.12 70.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.466 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 13.5 t0 -65.85 -49.14 69.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.998 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -44.02 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.947 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.409 HG23 HD11 ' A' ' 15' ' ' LEU . 63.3 mt -61.11 -50.63 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.505 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.6 t -58.95 -42.19 89.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.326 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.57 91.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 110.399 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.22 -33.81 83.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.658 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.409 HD11 HG23 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -67.85 -39.5 83.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.339 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -61.74 -53.12 60.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.232 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.53 -43.04 84.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.424 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 22' ' ' LEU . 5.0 t80 -56.27 -44.22 79.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.191 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -66.93 -38.91 87.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.341 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 24' ' ' GLN . 3.6 t -62.59 -41.35 91.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.21 0.528 . . . . 0.0 110.232 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -74.44 -38.62 62.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.666 179.048 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD21 ' CD2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -56.48 -36.58 69.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.478 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -98.68 -13.36 20.32 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 21' ' ' LEU . 5.3 pt20 -65.16 -2.06 2.64 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.686 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 46.3 mm-40 -76.23 176.53 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.182 -0.324 . . . . 0.0 110.448 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 m -102.47 50.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.686 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 94.0 m-85 -62.63 85.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.347 0.594 . . . . 0.0 111.432 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -134.56 -68.41 0.54 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.485 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.456 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -126.32 126.89 44.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.386 178.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' O ' ' CE1' ' A' ' 92' ' ' HIS . . . -72.56 94.86 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.296 0.57 . . . . 0.0 112.457 -177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -140.75 45.59 1.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.227 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.1 p -133.41 -76.13 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.465 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 174.3 135.2 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.769 0.319 . . . . 0.0 110.753 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB3' ' CD2' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -74.77 -47.08 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.606 -179.568 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.15 -28.95 66.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -63.74 -55.45 23.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.46 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 40.0 tpp -57.88 -48.58 79.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.0 t -56.62 -44.64 81.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.849 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.2 m -63.67 -33.26 75.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.498 ' CG1' ' CZ2' ' A' ' 44' ' ' TRP . 48.6 t -69.08 -41.11 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.703 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 24.2 t -59.51 -55.58 22.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.086 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 45' ' ' MET . 0.0 OUTLIER -61.9 -34.7 76.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.374 179.744 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -46.07 89.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.498 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 43.3 m0 -65.53 -49.02 70.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.681 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 27.5 ptm -57.72 -45.93 85.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.544 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.32 -40.15 89.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -66.28 -36.18 82.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -67.57 -46.53 72.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.6 mm -60.22 -56.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.3 -35.92 70.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.431 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -73.48 -49.51 26.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 111.781 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' HA ' ' CG ' ' A' ' 55' ' ' GLN . 8.4 m-85 -60.02 -31.25 69.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.798 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -54.54 -31.93 57.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 111.236 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -77.6 -22.56 50.66 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 52' ' ' TYR . 4.4 pt20 -96.78 28.4 3.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.032 0.444 . . . . 0.0 111.38 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 57' ' ' THR . 48.5 t -81.27 -91.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.002 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.53 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 3.6 m 96.1 -16.79 0.08 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.964 0.506 . . . . 0.0 111.395 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.16 177.95 53.0 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.13 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.526 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.4 mp0 -76.51 172.57 9.22 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 117.723 0.761 . . . . 0.0 110.794 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.6 Cg_endo -44.94 -32.17 6.13 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.834 2.356 . . . . 0.0 113.024 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -73.34 -46.02 51.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.219 0.533 . . . . 0.0 109.741 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.71 -37.07 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.941 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.521 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -70.91 -54.12 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.943 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -35.58 81.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.377 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -68.16 -47.55 67.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.671 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.88 -52.29 45.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.267 0.556 . . . . 0.0 109.551 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.96 -32.78 64.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.403 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -50.3 31.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.41 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -62.91 -33.43 75.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.99 179.408 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.61 -50.44 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.094 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -46.01 91.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.733 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -64.36 -38.48 91.2 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.373 -179.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 72' ' ' GLN . 1.0 OUTLIER -69.38 -41.53 76.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.712 0.291 . . . . 0.0 110.218 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 18' ' ' PHE . 61.2 mt -60.37 -42.89 96.72 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -64.73 -35.49 81.24 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.9 m -68.81 -41.11 79.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.226 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -76.64 -37.81 55.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.263 0.554 . . . . 0.0 110.012 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.41 61.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.81 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.475 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -59.06 -57.5 26.65 Favored Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.361 -178.606 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -59.99 -31.3 93.35 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.034 1.823 . . . . 0.0 112.357 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.465 ' CE2' ' CG2' ' A' ' 41' ' ' VAL . 1.2 t80 -67.54 -43.05 81.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.928 0.394 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -46.23 83.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.44 75.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.439 . . . . 0.0 110.018 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -61.96 -44.33 96.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.004 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' A' ' 37' ' ' MET . 4.4 t80 -67.22 -38.17 84.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.57 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -61.57 -51.09 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.712 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.35 -37.1 86.3 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.308 0.575 . . . . 0.0 110.153 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -63.71 -40.78 97.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.581 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 8.2 tp -74.3 -35.74 63.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.186 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.493 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 13.8 mmtp -68.48 -27.33 66.06 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.473 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.28 -40.82 62.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.412 ' CE1' ' O ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -60.16 173.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.238 -1.346 . . . . 0.0 109.415 179.297 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.06 24.84 1.96 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.755 0.312 . . . . 0.0 111.208 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 0.4 OUTLIER 43.47 98.69 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.359 179.511 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 94' ' ' LEU . 2.5 Cg_endo -45.42 111.6 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.565 2.177 . . . . 0.0 112.377 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 m 49.03 57.06 6.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.112 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.41 114.11 4.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -73.66 111.16 3.23 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.48 2.12 . . . . 0.0 112.263 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.67 110.93 3.2 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.549 2.166 . . . . 0.0 112.396 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.61 -177.97 3.96 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.487 2.125 . . . . 0.0 112.314 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.6 m 54.61 67.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.998 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.893 0.377 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 3' ' ' LEU . . . -83.24 -139.94 0.05 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 1.1 tp 159.54 80.5 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.515 0.326 . . . . 0.0 110.331 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER 96.61 91.34 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.154 0.582 . . . . 0.0 109.852 -178.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -25.26 1.6 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.357 -178.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.402 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . . . -54.81 -44.8 74.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.216 0.531 . . . . 0.0 111.072 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.42 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 25.3 p30 -72.17 -34.19 68.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.351 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' HA ' HG21 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -69.43 -29.5 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.379 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.12 -43.64 56.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.698 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -33.91 44.26 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.554 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.507 ' CG2' ' N ' ' A' ' 12' ' ' SER . 4.7 tt -64.62 -52.04 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.558 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.507 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 74.2 p -66.67 -36.95 83.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.535 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.63 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . -65.63 -46.07 80.67 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.65 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -69.15 -31.85 72.29 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.504 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -73.88 -40.32 63.29 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.799 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -63.47 -53.11 57.3 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 2.2 tp10 -57.8 -41.62 82.53 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.016 0.436 . . . . 0.0 109.92 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 33.5 t80 -57.97 -45.16 87.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.353 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 57.6 p -66.2 -39.17 89.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.714 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.72 -38.96 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.211 0.529 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -76.95 -41.23 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.575 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -72.57 -42.29 64.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.554 ' HB2' ' O ' ' A' ' 19' ' ' SER . 1.4 t-20 -69.64 -28.68 66.1 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.19 6.32 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 1.4 mp0 -70.98 146.88 49.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.0 m -84.99 127.11 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.322 . . . . 0.0 111.834 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' ' CD2' ' A' ' 85' ' ' TYR . 19.2 m-85 -132.2 85.42 2.24 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.306 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -141.23 -55.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.295 0.569 . . . . 0.0 109.54 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.422 ' O ' HD11 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -126.17 110.16 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.418 178.487 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.16 142.65 49.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.904 0.859 . . . . 0.0 113.21 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -174.91 -28.34 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.293 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.473 ' N ' HD23 ' A' ' 31' ' ' LEU . 7.6 p -55.17 -18.6 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 1.1 t 85.55 154.94 0.08 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.953 0.406 . . . . 0.0 110.709 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.55 -47.14 50.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.517 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -34.47 75.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.719 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -56.21 18.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 110.451 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.551 ' HG3' ' CE2' ' A' ' 85' ' ' TYR . 1.1 tmt? -60.25 -44.45 95.24 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -56.52 -44.39 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.389 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.4 m -66.55 -29.66 69.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.504 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.495 ' HA ' ' OD2' ' A' ' 43' ' ' ASP . 60.1 t -65.36 -52.21 54.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.207 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.2 t -66.0 -35.83 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.608 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -43.04 85.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.497 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.495 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 3.6 p30 -68.98 -40.07 79.04 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.096 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.48 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 48.8 m0 -62.71 -48.76 77.84 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.01 0.433 . . . . 0.0 110.369 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 21.1 ttm -59.62 -43.11 93.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.653 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' HG21 ' A' ' 49' ' ' ILE . 3.3 m-80 -66.85 -40.53 87.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.86 0.362 . . . . 0.0 110.66 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -66.87 -44.85 79.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.261 0.553 . . . . 0.0 109.72 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -64.14 -49.27 72.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.536 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 50' ' ' ASN . 1.1 tp -60.64 -43.71 95.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.974 0.416 . . . . 0.0 110.722 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 8.1 m120 -66.28 -26.4 67.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -79.66 -40.21 29.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 111.435 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -80.74 -29.97 36.25 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -59.92 -36.88 77.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.163 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -78.9 0.13 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.639 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.54 28.9 8.38 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.14 0.495 . . . . 0.0 110.232 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.61 ' O ' ' O ' ' A' ' 57' ' ' THR . 16.8 t -91.68 -90.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.845 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.61 ' O ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER 40.51 116.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 179.403 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.5 ' C ' ' HG2' ' A' ' 59' ' ' GLU . . . 148.43 -8.33 1.02 Allowed Glycine 0 CA--C 1.523 0.551 0 C-N-CA 120.05 -1.072 . . . . 0.0 113.283 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.501 ' CG ' ' HB2' ' A' ' 62' ' ' GLU . 4.5 pt-20 149.42 144.0 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 123.219 0.607 . . . . 0.0 110.979 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.62 -37.03 98.29 Favored 'Trans proline' 0 CA--C 1.514 -0.524 0 C-N-CA 122.342 2.028 . . . . 0.0 110.627 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -63.78 -29.95 71.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.413 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.501 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -71.74 -45.2 62.47 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.023 178.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.444 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -66.14 -54.99 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.101 179.433 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -57.42 -42.15 81.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.978 -179.121 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -77.24 -43.01 35.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.0 111.678 -179.543 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.97 -42.71 94.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.929 0.395 . . . . 0.0 111.234 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.43 -35.4 58.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 2.2 tp-100 -71.42 -41.9 68.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.378 . . . . 0.0 110.101 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.06 -40.61 91.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.69 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -51.55 67.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.091 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -60.69 -32.75 71.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.526 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -69.41 -46.73 66.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.255 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.21 -44.49 97.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.236 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.94 -45.3 89.81 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.238 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -62.57 -36.13 81.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.967 0.413 . . . . 0.0 110.016 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.9 p -72.21 -34.05 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.46 -40.87 28.81 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.125 0.488 . . . . 0.0 110.226 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.61 -15.06 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.544 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.454 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -59.0 -64.2 3.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.629 -178.755 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 79' ' ' ASN . 53.8 Cg_endo -68.66 -19.82 41.28 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.225 1.95 . . . . 0.0 112.113 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.444 ' CG ' HD23 ' A' ' 22' ' ' LEU . 7.1 t80 -73.99 -50.6 19.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -38.47 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.057 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.21 -43.67 77.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.504 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -42.91 88.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.738 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CD2' ' CE2' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -72.69 -48.92 35.05 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.259 -179.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.55 -41.65 86.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.969 0.414 . . . . 0.0 110.642 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 91' ' ' SER . 0.7 OUTLIER -71.87 -32.55 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.176 179.456 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 2.0 t80 -71.12 -42.96 68.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.405 HD22 ' O ' ' A' ' 85' ' ' TYR . 2.7 pp -74.26 -35.14 63.78 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 -14.43 34.52 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 9.0 t -75.36 -37.83 60.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -84.35 112.04 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.76 88.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.949 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -35.64 153.18 0.07 OUTLIER Pre-proline 0 N--CA 1.465 0.279 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.908 -179.469 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.17 144.51 63.27 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.814 2.342 . . . . 0.0 112.773 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.66 142.91 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.347 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.498 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 86.5 m-70 -122.02 44.81 0.87 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.722 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.589 ' HG2' ' HD3' ' A' ' 99' ' ' PRO . 12.5 Cg_endo -64.39 -37.86 37.14 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 121.893 1.728 . . . . 0.0 113.511 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.589 ' HD3' ' HG2' ' A' ' 98' ' ' PRO . 73.4 Cg_endo -75.3 170.48 20.23 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.884 1.722 . . . . 0.0 112.568 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.5 -166.57 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.777 2.318 . . . . 0.0 112.377 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.0 t 65.45 71.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.1 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.866 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.877 0.37 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.708 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -117.0 111.63 19.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.089 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER 33.96 -72.05 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 179.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.708 ' N ' ' O ' ' A' ' 2' ' ' ALA . 9.1 tp 61.91 77.81 0.31 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.01 0.433 . . . . 0.0 110.04 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -30.32 5.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.67 -30.65 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.446 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 23.2 p-10 -66.82 -46.61 74.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.112 0.482 . . . . 0.0 109.972 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 4.4 ttmm -67.22 -36.6 82.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.862 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.44 -37.3 83.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.677 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -45.58 76.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.497 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.6 -51.33 73.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.738 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -40.26 90.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.687 0.28 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.87 95.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 110.181 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.28 91.38 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.242 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -39.51 87.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.565 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 tttp -70.67 -53.08 17.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.91 -40.73 63.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.21 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' HD23 ' A' ' 74' ' ' LEU . 5.7 t80 -64.23 -47.79 78.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.784 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 p -55.25 -39.87 70.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.821 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.68 -35.68 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.246 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.61 -49.28 78.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.364 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.83 -40.74 75.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.644 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 25' ' ' GLN . 1.9 m-80 -66.4 -40.38 89.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.716 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -78.0 27.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.78 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 8.5 tp60 -89.75 156.13 18.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 110.305 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.0 t -63.38 112.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 70.4 m-85 -140.06 85.3 2.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.222 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.45 ' N ' ' CE2' ' A' ' 88' ' ' PHE . 5.2 m-80 -156.82 -62.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.05 0.452 . . . . 0.0 110.673 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 12.3 t70 -126.27 99.55 5.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.238 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.476 ' CB ' ' CE1' ' A' ' 88' ' ' PHE . . . -70.98 100.79 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.095 0.95 . . . . 0.0 112.727 -176.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 29' ' ' ASP . 2.4 pt? -130.75 37.55 3.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.145 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.61 158.52 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 151.74 45.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.771 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 89' ' ' LEU . 6.6 tp10 -74.03 -47.03 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -60.38 -28.99 68.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.349 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.27 -56.36 21.37 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.71 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.476 ' HE1' ' CG ' ' A' ' 85' ' ' TYR . 13.9 tmm? -58.26 -46.59 85.7 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.6 t -56.56 -44.69 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.273 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.8 m -63.22 -38.01 89.5 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.161 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.65 -41.04 86.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.011 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -65.89 -51.75 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.55 -42.7 97.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.577 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.58 -48.15 76.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -59.83 -49.11 78.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.007 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.403 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 26.6 ttp -56.67 -49.0 76.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 111.225 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -60.41 -43.38 96.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.11 -31.8 73.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.263 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -51.69 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.714 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 45' ' ' MET . 2.1 mp -56.23 -42.29 72.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.804 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.74 -39.86 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.943 0.401 . . . . 0.0 110.94 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -72.55 -33.17 66.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.894 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.465 ' CD2' ' CD2' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -76.63 -42.94 40.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.581 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' NH1' ' HG3' ' A' ' 54' ' ' GLN . 5.1 ptm180 -51.93 -33.91 39.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.736 0.303 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' HG3' ' NH1' ' A' ' 53' ' ' ARG . 2.0 mt-30 -81.8 -18.88 42.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.316 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -91.76 28.65 1.73 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.475 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 t -111.81 139.48 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.029 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.07 -1.31 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.473 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.64 169.96 45.58 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.342 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 2.3 pt-20 -61.31 162.12 15.45 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 7.5 Cg_endo -49.26 -29.3 16.77 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.858 2.372 . . . . 0.0 112.4 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.29 -45.93 52.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.038 0.446 . . . . 0.0 110.074 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -72.58 -33.45 66.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.489 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.8 ttp85 -67.81 -52.5 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.507 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.07 -42.41 96.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -58.92 -47.24 85.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.22 -26.64 63.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.708 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.79 -39.75 61.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.247 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.81 -41.93 77.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.232 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.56 -41.37 96.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.02 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -59.09 -48.33 82.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.306 179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -57.52 -48.39 79.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.669 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 3.0 tp-100 -58.71 -47.82 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 0.0 110.815 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 11.7 mm-40 -64.39 -23.76 67.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.034 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.427 HD23 ' CZ ' ' A' ' 18' ' ' PHE . 61.4 mt -78.57 -46.37 19.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.872 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -67.51 -27.15 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.884 179.135 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.428 HG21 ' O ' ' A' ' 73' ' ' GLU . 1.7 t -84.67 -27.92 26.76 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.985 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 5.4 mt -86.27 -32.19 21.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 110.094 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.71 -24.65 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.556 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.561 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.15 -48.02 97.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.844 -177.29 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 29.8 Cg_endo -64.76 -29.42 59.44 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 121.537 1.491 . . . . 0.0 111.546 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.443 ' CE1' ' HG2' ' A' ' 25' ' ' GLN . 1.3 t80 -68.48 -44.58 74.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.157 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 6.5 tt -65.57 -43.48 89.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.198 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.56 -31.46 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.945 0.403 . . . . 0.0 110.511 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 11.2 ttmm -67.0 -40.05 87.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.84 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.476 ' CG ' ' HE1' ' A' ' 37' ' ' MET . 1.1 t80 -75.87 -35.07 60.0 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -63.69 -44.64 93.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 2.1 t70 -68.92 -39.4 79.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.77 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' CE1' ' CB ' ' A' ' 30' ' ' ALA . 62.2 t80 -63.46 -44.86 93.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.987 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 34' ' ' GLU . 6.5 tp -74.43 -35.96 63.41 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -22.44 45.61 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 t -86.85 -49.96 7.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.98 0.419 . . . . 0.0 111.223 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -59.72 112.79 1.95 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.69 0.757 . . . . 0.0 112.747 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.612 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 3.8 tt0 -130.12 -174.25 3.27 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.487 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' O ' ' CD1' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -94.63 100.49 5.36 Favored Pre-proline 0 N--CA 1.463 0.205 0 CA-C-O 120.721 0.296 . . . . 0.0 111.334 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.612 ' HD3' ' O ' ' A' ' 93' ' ' GLU . 91.4 Cg_endo -100.85 70.11 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 123.263 2.642 . . . . 0.0 112.26 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.422 ' HB2' ' HD3' ' A' ' 98' ' ' PRO . 1.8 m 78.14 -60.02 0.42 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.744 0.307 . . . . 0.0 110.826 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.45 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 7.4 m80 62.95 49.81 1.22 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.307 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.525 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 1.2 Cg_endo -45.29 -54.34 4.47 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.973 2.448 . . . . 0.0 112.95 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 98' ' ' PRO . 19.5 Cg_endo -58.67 161.21 15.39 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.341 2.027 . . . . 0.0 112.589 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.414 ' HB2' ' H ' ' A' ' 101' ' ' SER . 66.9 Cg_endo -83.04 -139.85 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.026 2.484 . . . . 0.0 112.235 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.414 ' H ' ' HB2' ' A' ' 100' ' ' PRO . 63.0 p -118.4 90.92 3.43 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.757 0.313 . . . . 0.0 110.782 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.86 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.754 0.311 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.74 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.64 -41.92 78.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.75 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -35.1 77.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.684 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -44.56 82.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.291 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -68.38 -45.73 71.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 69' ' ' GLU . 6.1 tt -63.71 -51.11 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.408 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.494 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 10.0 t -60.83 -40.77 94.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.72 0.295 . . . . 0.0 110.705 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.66 99.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.187 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.81 -37.38 84.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.349 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.82 HD11 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -68.99 -39.67 79.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.744 0.307 . . . . 0.0 110.638 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.753 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -66.46 -53.14 38.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.44 . . . . 0.0 110.445 179.773 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.36 -40.66 71.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.148 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.695 ' CD2' HD23 ' A' ' 74' ' ' LEU . 12.2 t80 -60.72 -49.02 79.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.65 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -56.0 -38.84 71.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.2 t -69.43 -33.75 58.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.34 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.819 HD22 ' CZ3' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -67.48 -47.48 69.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.542 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.76 HD22 ' CD2' ' A' ' 81' ' ' PHE . 12.4 mt -69.68 -36.79 76.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.261 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 4.0 p-10 -75.68 -33.56 60.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.501 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -60.75 11.83 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -178.563 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 2.3 mp0 -72.02 176.61 4.93 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 122.073 -0.392 . . . . 0.0 109.946 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 26' ' ' VAL . 14.3 p -106.14 50.0 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 91.6 m-85 -63.42 92.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.181 0.515 . . . . 0.0 110.368 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -161.16 -52.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.083 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -126.05 102.22 7.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.765 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.807 ' C ' HD12 ' A' ' 31' ' ' LEU . . . -71.42 108.6 4.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 122.329 1.061 . . . . 0.0 113.534 -175.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.807 HD12 ' C ' ' A' ' 30' ' ' ALA . 6.9 mp -149.39 173.92 13.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 113.164 -1.834 . . . . 0.0 107.112 178.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER 84.25 155.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 118.702 0.683 . . . . 0.0 110.906 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.7 137.37 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.311 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . 25.6 tt0 -67.71 -47.14 70.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.781 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 39' ' ' THR . 0.9 OUTLIER -55.97 -29.31 60.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.934 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -52.72 50.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.0 tpp -61.04 -50.02 75.03 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.64 -44.52 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.959 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 35' ' ' GLU . 20.8 p -61.17 -38.12 85.36 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.285 0.564 . . . . 0.0 110.295 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.546 HG13 ' CZ2' ' A' ' 44' ' ' TRP . 0.9 OUTLIER -62.16 -42.02 93.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.436 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.795 HG22 ' CE2' ' A' ' 81' ' ' PHE . 88.7 t -61.37 -52.99 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.442 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.23 -41.08 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.851 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -45.53 88.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.819 ' CZ3' HD22 ' A' ' 21' ' ' LEU . 40.2 m0 -62.87 -48.63 78.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.402 ' O ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -53.77 -48.82 69.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.278 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -61.89 -42.31 98.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.08 -40.36 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.016 0.436 . . . . 0.0 110.161 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.46 -50.5 58.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.644 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.544 HD11 HD12 ' A' ' 74' ' ' LEU . 34.0 mm -56.82 -49.51 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.948 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.12 -44.69 87.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.229 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -67.21 -49.62 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.097 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.456 ' CE1' HD11 ' A' ' 10' ' ' LEU . 18.7 m-85 -59.49 -38.15 80.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.729 ' HG3' HD21 ' A' ' 67' ' ' LEU . 7.7 ttt85 -54.15 -40.14 67.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.092 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -83.14 -9.0 59.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.588 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -96.76 38.65 1.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.763 0.316 . . . . 0.0 111.066 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.653 HG11 ' HA ' ' A' ' 63' ' ' ARG . 21.5 t -133.58 119.5 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t -108.29 10.65 27.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.539 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.31 175.96 44.79 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.172 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.461 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -66.6 168.94 8.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.882 0.341 . . . . 0.0 110.82 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 9.5 Cg_endo -52.26 -27.91 32.22 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.592 2.194 . . . . 0.0 112.606 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 21.1 mt-30 -73.35 -47.48 41.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.141 0.496 . . . . 0.0 109.76 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -64.47 -38.43 90.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.316 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.653 ' HA ' HG11 ' A' ' 56' ' ' VAL . 25.3 ttm180 -69.1 -50.29 49.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.375 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.15 -45.09 96.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.899 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 1.1 mmmp? -59.26 -47.34 85.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -69.77 -30.26 67.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.49 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.729 HD21 ' HG3' ' A' ' 53' ' ' ARG . 10.7 mt -71.91 -40.32 68.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.781 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -70.97 -39.54 72.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.561 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.583 ' HB3' HD11 ' A' ' 11' ' ' ILE . 2.5 tt0 -68.55 -34.95 76.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.179 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -65.47 -49.07 70.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.891 179.213 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -63.05 -45.99 89.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.38 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.11 -35.0 78.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.951 0.405 . . . . 0.0 110.488 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.82 ' CG ' HD11 ' A' ' 15' ' ' LEU . 6.5 mm-40 -66.91 -38.36 86.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.562 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.695 HD23 ' CD2' ' A' ' 18' ' ' PHE . 25.2 mt -70.51 -36.14 73.59 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.57 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -66.21 -39.66 89.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.982 0.42 . . . . 0.0 110.137 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 73' ' ' GLU . 6.7 t -73.28 -32.35 64.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.535 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.712 HD11 HD23 ' A' ' 15' ' ' LEU . 30.3 mt -84.56 -31.39 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.203 0.525 . . . . 0.0 110.323 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -81.6 -26.86 34.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.271 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.564 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -58.66 -50.76 86.28 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.363 -178.306 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 30.4 Cg_endo -64.08 -33.66 60.92 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 121.744 1.629 . . . . 0.0 111.853 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.795 ' CE2' HG22 ' A' ' 41' ' ' VAL . 2.0 t80 -69.82 -43.48 71.92 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.358 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.8 mt -76.94 -33.42 57.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.637 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.64 56.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.175 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 17.7 ptmt -66.51 -41.89 88.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.049 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -64.9 -45.82 84.33 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.599 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.828 ' O ' HD23 ' A' ' 89' ' ' LEU . 5.4 mmm180 -58.88 -54.63 44.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.277 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.25 -37.96 82.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.173 0.511 . . . . 0.0 109.966 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.617 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 22.0 t80 -62.26 -51.36 68.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.922 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -74.51 -25.83 59.6 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.737 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -89.51 -11.42 42.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.542 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.382 -179.717 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.752 0.311 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.458 ' N ' ' HG2' ' A' ' 5' ' ' LYS . . . -51.6 -39.27 57.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.104 0.478 . . . . 0.0 110.801 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -71.12 -45.67 63.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.655 ' HA ' HD12 ' A' ' 11' ' ' ILE . 3.0 mttt -60.77 -37.15 80.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.534 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.6 -45.99 81.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.973 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -46.2 90.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.726 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.739 HD11 ' OE2' ' A' ' 69' ' ' GLU . 5.5 mt -62.87 -51.13 75.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.731 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.81 -41.14 90.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.64 0.257 . . . . 0.0 111.147 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.25 -45.5 87.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.466 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.68 -39.22 93.67 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.517 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD11 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -69.18 -39.83 78.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.541 0.21 . . . . 0.0 110.948 179.513 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.851 ' O ' HG23 ' A' ' 20' ' ' VAL . 7.1 tttt -61.34 -53.25 59.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.643 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.87 -38.57 82.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.379 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CD2' HD11 ' A' ' 22' ' ' LEU . 6.4 t80 -62.14 -46.79 87.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.18 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.8 p -61.68 -41.32 97.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.171 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.4 t -64.95 -32.96 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.208 0.528 . . . . 0.0 109.831 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.742 HD21 ' CE3' ' A' ' 44' ' ' TRP . 13.1 tp -66.49 -45.41 79.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.23 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' CD2' ' A' ' 81' ' ' PHE . 10.1 mt -71.55 -45.84 61.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.74 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -61.03 -41.59 96.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.657 0.265 . . . . 0.0 111.694 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -74.02 4.24 5.75 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 6.5 mm-40 -66.29 176.6 1.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.53 117.5 46.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 0.0 111.785 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 45.9 m-85 -139.52 85.82 2.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -153.06 -57.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.11 0.481 . . . . 0.0 109.95 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.24 99.8 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.06 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . . . -72.11 102.93 3.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.62 0.724 . . . . 0.0 112.215 -177.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -111.27 -51.68 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.861 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.499 HG22 ' N ' ' A' ' 33' ' ' SER . 11.4 p -61.64 159.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.259 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.499 ' N ' HG22 ' A' ' 32' ' ' VAL . 37.7 m -74.05 163.05 28.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.803 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.9 pt-20 -74.5 -40.29 61.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.14 -33.75 71.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.892 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -63.31 -56.16 18.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.598 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.494 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -58.27 -48.1 81.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.541 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 34' ' ' GLU . 91.4 t -56.28 -44.67 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.0 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.1 m -63.26 -33.58 75.81 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.168 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 36' ' ' ASP . 24.9 t -67.01 -46.69 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.939 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.678 HG22 ' CE2' ' A' ' 81' ' ' PHE . 47.4 t -59.46 -54.93 27.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.997 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -38.97 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 0.0 110.674 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -58.98 -43.99 91.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.791 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.742 ' CE3' HD21 ' A' ' 21' ' ' LEU . 37.6 m0 -67.01 -49.02 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.732 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -48.99 72.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.403 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -41.88 94.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.703 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.44 -33.36 75.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.273 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.51 -51.67 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.0 mm -58.1 -51.4 71.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.774 0.321 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -39.91 83.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.335 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -69.95 -49.52 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.222 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CE2' HD21 ' A' ' 70' ' ' LEU . 2.3 m-85 -62.21 -32.58 73.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.558 ' O ' HG23 ' A' ' 56' ' ' VAL . 6.2 ttp85 -58.91 -42.86 90.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.727 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -75.41 -22.72 57.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -89.95 43.45 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.794 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 53' ' ' ARG . 23.6 t -114.81 139.14 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.796 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 t -127.24 -7.97 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.68 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.77 176.91 44.72 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.71 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 1.3 pm0 -69.11 166.59 27.19 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-O 120.638 0.256 . . . . 0.0 111.368 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 2.7 Cg_endo -44.96 -32.95 6.96 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.057 2.505 . . . . 0.0 112.591 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -73.17 -41.67 63.63 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.0 -39.22 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.792 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.54 ' CB ' HG11 ' A' ' 56' ' ' VAL . 25.7 ttm180 -66.75 -52.0 49.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.261 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.81 -39.42 88.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -46.99 87.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.542 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -69.16 -32.6 72.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 53' ' ' ARG . 3.5 mm? -76.19 -31.55 58.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -77.69 -39.97 43.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.657 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.739 ' OE2' HD11 ' A' ' 11' ' ' ILE . 10.6 pt-20 -71.81 -33.49 68.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -66.94 -50.23 63.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.948 178.728 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 68' ' ' GLN . 8.0 ptm180 -60.11 -44.69 94.66 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.962 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 50.7 tt0 -59.3 -50.36 74.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.836 ' CG ' HD11 ' A' ' 15' ' ' LEU . 61.3 mm-40 -58.8 -36.22 74.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -63.42 -45.8 89.27 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.68 -33.06 75.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 109.849 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 m -76.51 -33.1 58.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.475 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.44 HD11 ' HG ' ' A' ' 15' ' ' LEU . 45.3 mt -83.74 -33.19 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.193 0.52 . . . . 0.0 110.366 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.53 -25.17 36.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.335 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.538 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -58.65 -50.92 85.4 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.265 -178.266 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 40.9 Cg_endo -68.3 -31.63 28.12 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 121.881 1.72 . . . . 0.0 112.166 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.678 ' CE2' HG22 ' A' ' 41' ' ' VAL . 3.0 t80 -73.1 -46.0 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.422 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.473 HD23 HG11 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -67.95 -41.42 82.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.556 -179.456 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.77 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 110.528 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -36.6 84.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.494 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 6.7 t80 -72.71 -44.95 61.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.132 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -44.05 84.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.19 0.519 . . . . 0.0 109.744 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.35 -36.76 83.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.533 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.704 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 22.2 t80 -63.38 -47.57 81.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.604 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.591 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 7.6 tp -73.98 -29.94 62.24 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.62 0.248 . . . . 0.0 111.591 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -17.5 44.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.706 0.289 . . . . 0.0 110.959 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.185 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HA ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.148 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.37 90.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.009 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -77.05 -46.72 22.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.443 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.23 -35.08 79.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.019 0.438 . . . . 0.0 110.325 179.853 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.08 -44.94 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.961 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -42.57 98.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.594 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.467 HG22 HD13 ' A' ' 15' ' ' LEU . 57.1 mt -70.24 -51.88 34.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.713 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -65.67 -40.26 92.2 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 122.295 -0.253 . . . . 0.0 111.225 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.5 95.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.292 0.568 . . . . 0.0 109.611 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -70.19 -37.59 72.04 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.264 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD21 ' HG2' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -70.25 -39.76 74.81 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.675 0.274 . . . . 0.0 110.442 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.884 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -61.03 -53.25 59.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.332 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.4 -36.5 80.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.03 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.761 ' CE2' HD11 ' A' ' 22' ' ' LEU . 25.1 t80 -69.67 -34.55 74.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.348 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 1.2 m -74.19 -44.67 52.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.622 0.248 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.7 t -66.66 -33.45 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.324 0.583 . . . . 0.0 109.581 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.907 HD11 ' CH2' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -71.44 -44.76 64.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.036 179.223 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' A' ' 18' ' ' PHE . 12.5 mt -70.71 -36.26 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 19' ' ' SER . 4.7 m-80 -77.58 -10.22 59.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.257 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 45.17 0.99 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.962 0.411 . . . . 0.0 111.94 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' CB ' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -119.52 131.2 55.51 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.024 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.522 ' HB ' ' OD1' ' A' ' 29' ' ' ASP . 27.1 m -72.6 52.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -178.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CE2' ' CB ' ' A' ' 25' ' ' GLN . 69.0 m-85 -61.93 86.08 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.528 0.68 . . . . 0.0 110.549 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' VAL . 2.0 t30 178.63 -20.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.209 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.522 ' OD1' ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -98.62 97.91 9.13 Favored 'General case' 0 CA--C 1.527 0.074 0 CA-C-O 121.439 0.638 . . . . 0.0 112.255 -179.475 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . . . -70.42 86.87 0.62 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.163 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -173.86 148.23 1.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 113.129 -1.85 . . . . 0.0 108.872 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER 100.33 170.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 122.966 0.507 . . . . 0.0 111.228 -179.588 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.531 ' H ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -90.68 140.47 29.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.276 -179.762 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.76 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.4 pp20? -74.62 -40.56 61.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.255 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -53.94 -36.38 62.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.224 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.797 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -58.34 -56.16 25.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.471 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -43.79 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 34' ' ' GLU . 87.4 t -56.27 -45.45 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.232 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -35.75 81.64 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.371 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 36' ' ' ASP . 24.4 t -58.94 -48.01 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.219 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.12 -42.51 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.999 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.74 -42.9 97.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.62 -47.29 81.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.671 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.907 ' CH2' HD11 ' A' ' 21' ' ' LEU . 25.7 m0 -58.9 -48.94 79.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 34.2 ttm -56.88 -48.79 77.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.505 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 49' ' ' ILE . 39.5 m-80 -64.78 -41.56 95.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.928 0.394 . . . . 0.0 110.393 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.481 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -72.66 -47.83 44.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 70' ' ' LEU . 4.4 tp -58.6 -49.21 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.961 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.491 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 2.3 t30 -63.15 -46.22 88.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.386 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -67.5 -28.51 67.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.247 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.16 -38.93 21.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.577 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.804 ' HA ' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.94 -35.49 69.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.642 0.258 . . . . 0.0 110.845 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -80.43 -32.73 37.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.939 0.4 . . . . 0.0 110.502 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -72.42 48.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.586 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.792 HG11 ' HA ' ' A' ' 63' ' ' ARG . 3.2 t -147.87 89.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.24 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.1 p -93.17 25.41 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.544 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.68 -174.52 32.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.188 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -56.17 167.53 0.89 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.655 0.264 . . . . 0.0 110.874 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 36.4 Cg_endo -65.12 -30.15 55.85 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.481 2.121 . . . . 0.0 112.456 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -71.62 -47.51 54.11 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -40.29 85.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.943 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.792 ' HA ' HG11 ' A' ' 56' ' ' VAL . 6.8 ptp180 -74.44 -52.16 12.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.673 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -57.79 -42.21 83.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.42 -40.52 73.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.981 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.93 88.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.024 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.804 HD21 ' HA ' ' A' ' 53' ' ' ARG . 14.0 mt -67.89 -39.02 83.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -66.2 -50.34 64.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -62.5 -33.41 74.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.238 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 49' ' ' ILE . 2.1 tp -66.8 -51.92 50.04 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -57.27 -42.54 81.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -61.99 -50.41 72.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.397 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.537 ' HG2' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -55.43 -51.14 67.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.336 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.51 -48.09 77.94 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.94 -28.45 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.784 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.473 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 7.4 m -72.95 -54.37 8.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.428 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 8.6 mt -57.62 -46.38 84.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.97 -22.88 65.0 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.469 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.03 -55.55 44.02 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 76' ' ' THR . 35.2 Cg_endo -64.44 -19.49 65.34 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 121.873 1.716 . . . . 0.0 112.053 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 1.2 t80 -73.87 -44.9 53.97 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.244 0.545 . . . . 0.0 111.562 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 82' ' ' LEU . 2.1 mm? -77.11 -32.25 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.82 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.27 51.23 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.014 0.435 . . . . 0.0 110.179 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 0.4 OUTLIER -67.05 -40.45 87.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.235 179.581 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -43.13 71.95 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.907 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -57.59 -46.34 84.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.205 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -39.33 94.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.874 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -62.34 -48.66 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.607 179.583 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -74.44 -34.57 63.24 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -179.249 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -77.33 -23.25 50.97 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.675 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 0.0 111.064 -179.821 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.878 0.371 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.55 -32.4 18.41 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.781 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 25.7 p30 -75.93 -30.97 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 110.035 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 11' ' ' ILE . 6.6 tttt -77.49 -31.8 53.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.366 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.12 -36.92 64.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.709 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.862 HD21 ' CD1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -69.96 -44.64 69.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 179.347 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.488 HD12 ' OE2' ' A' ' 69' ' ' GLU . 5.0 tt -62.7 -50.16 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.639 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.484 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 1.2 m -66.67 -38.16 86.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.548 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.64 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 110.545 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.02 -36.62 60.65 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.334 178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.849 HD21 ' HG2' ' A' ' 73' ' ' GLU . 1.4 mp -70.13 -39.19 75.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.626 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.771 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.0 tttp -65.64 -53.12 45.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.994 0.426 . . . . 0.0 110.516 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.9 -38.39 78.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.437 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.876 ' CE2' HD11 ' A' ' 22' ' ' LEU . 13.4 t80 -68.79 -40.99 79.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.212 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -38.73 90.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 16' ' ' LYS . 3.5 t -72.32 -41.16 65.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.232 0.539 . . . . 0.0 109.953 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD21 ' CE3' ' A' ' 44' ' ' TRP . 11.4 tp -55.96 -48.32 76.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.651 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.876 HD11 ' CE2' ' A' ' 18' ' ' PHE . 59.7 mt -71.55 -35.64 70.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.407 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -82.66 0.23 44.13 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -93.15 28.53 2.13 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.365 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.596 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 65.5 mm-40 -93.19 176.67 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.21 50.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 37.0 m-85 -62.5 105.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.45 0.643 . . . . 0.0 110.404 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t30 179.64 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.702 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.536 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -126.24 92.96 3.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.925 178.813 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.794 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -72.61 108.54 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -176.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.985 HD22 ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -124.31 -50.64 1.77 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.012 179.072 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.985 ' N ' HD22 ' A' ' 31' ' ' LEU . 14.9 p -67.31 149.02 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.96 0.41 . . . . 0.0 111.521 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.18 150.26 39.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.829 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -74.68 -34.74 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.02 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -59.41 -38.92 81.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.562 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.909 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.2 t70 -60.01 -55.61 31.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.233 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.477 ' CG ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.96 -44.19 86.89 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 34' ' ' GLU . 74.6 t -56.52 -44.88 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.109 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m -68.28 -31.82 71.53 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.508 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 36' ' ' ASP . 37.7 t -63.87 -51.74 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 42.4 t -62.56 -41.49 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.748 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 45' ' ' MET . 0.3 OUTLIER -64.17 -41.89 96.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -42.99 98.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.151 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 43.5 m0 -67.35 -49.06 65.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.194 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -59.03 -37.39 76.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.21 -43.61 70.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.534 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.0 -34.35 78.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.058 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -50.76 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.62 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.587 HD11 HD12 ' A' ' 74' ' ' LEU . 34.1 mm -57.71 -48.3 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -62.94 -32.89 74.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.397 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -81.4 -31.88 33.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.614 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.862 ' CD1' HD21 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -75.23 -39.75 59.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.339 -179.539 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.689 ' HB3' HD21 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -49.34 -32.32 11.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.216 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -8.0 56.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.936 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -96.61 12.34 32.04 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.556 0.217 . . . . 0.0 111.47 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.762 HG12 ' H ' ' A' ' 58' ' ' GLY . 35.0 t -94.96 -83.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 1.9 m 90.64 7.62 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.718 0.407 . . . . 0.0 111.599 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.762 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -92.02 -177.94 42.02 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.37 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -64.71 169.35 5.34 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 117.367 0.584 . . . . 0.0 110.615 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 9.8 Cg_endo -51.83 -27.84 28.73 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.477 2.118 . . . . 0.0 112.308 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 24.5 pt20 -73.07 -42.79 62.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -45.44 91.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.323 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -68.53 -49.72 57.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.8 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.92 -52.04 65.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.453 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -56.88 -47.43 80.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.436 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HA ' ' HG2' ' A' ' 69' ' ' GLU . . . -64.72 -51.32 63.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.444 0.64 . . . . 0.0 109.693 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 53' ' ' ARG . 15.6 mt -54.55 -33.81 60.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.71 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -72.47 -50.35 26.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE2' HD12 ' A' ' 11' ' ' ILE . 22.0 pt-20 -64.74 -29.87 70.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.259 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.52 -50.27 59.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.243 179.275 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -62.54 -44.24 96.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.767 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.15 -42.55 99.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.708 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.849 ' HG2' HD21 ' A' ' 15' ' ' LEU . 26.6 mt-10 -62.9 -42.24 99.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.044 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.587 HD12 HD11 ' A' ' 49' ' ' ILE . 13.8 mt -64.7 -38.09 89.81 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.828 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ASN . 8.1 m-80 -64.94 -49.44 70.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.975 0.417 . . . . 0.0 110.221 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 73' ' ' GLU . 5.2 t -60.4 -34.61 74.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.514 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.68 -43.34 22.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.529 0.68 . . . . 0.0 109.694 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -68.9 -27.01 65.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.334 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.476 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -58.43 -56.85 31.11 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.738 -177.567 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 19.6 Cg_endo -59.18 -31.75 95.88 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 121.701 1.6 . . . . 0.0 111.932 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.636 ' HD2' HD22 ' A' ' 22' ' ' LEU . 1.1 t80 -74.17 -50.66 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.425 0.631 . . . . 0.0 110.907 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 82' ' ' LEU . 7.3 tt -68.7 -40.49 80.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.241 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.14 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -69.82 -39.98 76.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.664 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CE2' ' CG ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -68.8 -39.41 80.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.917 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.435 ' HG3' HD23 ' A' ' 82' ' ' LEU . 4.5 mmm180 -64.0 -53.05 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -33.54 64.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.25 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.794 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -63.98 -51.82 62.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.71 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 5.6 mt -74.43 -27.84 60.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.107 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -13.29 43.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.7 0.286 . . . . 0.0 111.549 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 111.205 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 tptp . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.767 0.318 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.62 -42.64 71.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.629 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -68.8 -32.32 71.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.373 . . . . 0.0 110.58 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -35.58 60.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.526 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -64.9 -47.87 76.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.384 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -66.19 -43.83 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.401 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.942 HD13 HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -61.21 -51.15 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.211 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 11' ' ' ILE . 3.9 m -59.82 -42.62 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.61 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.92 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.324 . . . . 0.0 110.699 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.71 -35.15 85.12 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.517 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.613 HD11 ' CB ' ' A' ' 73' ' ' GLU . 2.1 mp -71.27 -39.75 71.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.645 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.869 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.3 tttt -61.88 -53.17 59.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -59.72 -40.64 88.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.555 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.748 ' CE1' HD11 ' A' ' 22' ' ' LEU . 21.2 t80 -61.91 -48.99 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 p -59.12 -41.06 87.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.603 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -69.34 -37.86 76.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.241 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.985 HD11 ' CH2' ' A' ' 44' ' ' TRP . 1.4 tp -59.69 -47.26 86.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.111 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.748 HD11 ' CE1' ' A' ' 18' ' ' PHE . 14.9 mt -68.33 -36.18 78.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.765 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.564 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 22.2 p30 -80.25 -33.0 38.26 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.564 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 12.8 pt20 -61.51 14.21 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.5 mp0 -79.64 176.65 9.51 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 26' ' ' VAL . 13.6 p -101.99 50.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.527 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 45.1 m-85 -62.82 90.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.475 0.655 . . . . 0.0 110.688 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -156.96 -57.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.611 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.559 ' HB2' HD23 ' A' ' 31' ' ' LEU . 7.4 p-10 -126.39 101.76 6.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.384 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' C ' HD22 ' A' ' 31' ' ' LEU . . . -72.87 76.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.203 0.525 . . . . 0.0 111.55 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 29' ' ' ASP . 3.6 mm? -113.3 50.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.214 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.646 HG13 ' H ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -144.45 -86.48 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.646 ' H ' HG13 ' A' ' 32' ' ' VAL . 2.1 p 176.9 137.04 0.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.741 0.305 . . . . 0.0 110.687 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.808 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -74.27 -45.88 44.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.428 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -53.87 -41.84 67.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.801 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -58.15 -55.74 31.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.464 179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -57.93 -43.44 86.28 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 34' ' ' GLU . 94.1 t -56.81 -44.68 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.052 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -38.05 89.66 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.105 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 36' ' ' ASP . 8.2 t -61.91 -39.87 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.826 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.831 HG11 HD23 ' A' ' 82' ' ' LEU . 53.4 t -65.3 -50.04 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.73 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -42.77 95.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.709 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -38.77 92.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.985 ' CH2' HD11 ' A' ' 21' ' ' LEU . 22.0 m0 -68.64 -48.5 63.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.81 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 29.7 ttm -58.51 -45.22 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.352 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -67.8 -43.44 79.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.002 0.429 . . . . 0.0 110.483 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -64.44 -33.1 75.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.541 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -71.05 -45.56 63.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.622 HD11 HD12 ' A' ' 74' ' ' LEU . 34.3 mm -60.54 -52.46 61.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.723 0.297 . . . . 0.0 110.785 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.99 -40.63 94.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -67.18 -49.19 65.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.563 ' O ' HG22 ' A' ' 56' ' ' VAL . 12.5 m-85 -59.55 -30.88 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.5 ttp-105 -62.33 -39.64 93.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -6.78 43.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.793 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' CG ' ' HA ' ' A' ' 52' ' ' TYR . 11.9 pt20 -115.9 24.63 11.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.669 0.271 . . . . 0.0 111.495 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.08 HG12 ' NH1' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -114.16 125.85 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.078 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.575 ' N ' HH11 ' A' ' 63' ' ' ARG . 2.0 m -167.55 125.92 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 154.87 -6.92 0.3 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 119.741 -1.218 . . . . 0.0 113.827 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER 157.11 121.18 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 123.098 0.559 . . . . 0.0 109.847 178.148 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 59' ' ' GLU . 5.7 Cg_endo -46.88 -51.09 9.75 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.526 2.151 . . . . 0.0 111.842 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 26.0 tt0 -62.26 -37.08 84.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.494 ' HB2' ' CB ' ' A' ' 59' ' ' GLU . 3.1 tt0 -71.89 -32.75 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.34 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 1.08 ' NH1' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -74.56 -55.6 5.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.261 0.553 . . . . 0.0 110.54 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.88 -33.45 73.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.522 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -68.85 -47.15 66.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.32 73.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.169 0.509 . . . . 0.0 110.311 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.001 HD21 HG21 ' A' ' 56' ' ' VAL . 1.8 mm? -72.94 -43.91 61.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.707 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 9.0 pt20 -63.78 -42.5 97.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 110.153 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 3.5 mm-40 -62.76 -41.83 99.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.849 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.942 HD22 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -55.54 -50.99 68.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.323 179.22 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -58.13 -49.14 78.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.764 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 76' ' ' THR . 0.9 OUTLIER -59.26 -50.45 73.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.397 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.613 ' CB ' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -55.03 -45.13 75.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.729 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.622 HD12 HD11 ' A' ' 49' ' ' ILE . 57.4 mt -59.26 -44.35 92.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.232 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -64.53 -31.65 72.95 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.173 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.0 p -79.97 -28.86 39.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.382 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 77' ' ' LEU . 24.1 mt -85.91 -33.57 21.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.12 0.486 . . . . 0.0 110.419 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.51 -24.21 36.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.281 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.54 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.81 -50.78 86.16 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.398 -178.359 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 42.5 Cg_endo -68.5 -31.9 26.25 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 121.837 1.691 . . . . 0.0 112.235 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.7 ' CE2' HG22 ' A' ' 41' ' ' VAL . 2.2 t80 -71.1 -44.71 65.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.518 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.831 HD23 HG11 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -71.3 -40.6 70.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.49 -35.44 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 110.2 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 2.5 tttm -65.9 -42.04 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.547 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.46 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 2.3 t80 -68.17 -43.89 77.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.73 0.3 . . . . 0.0 111.19 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -54.47 46.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.904 0.383 . . . . 0.0 110.663 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -38.71 89.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.095 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 6.4 t80 -63.31 -40.37 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.208 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -74.01 -31.13 62.79 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.382 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -85.72 -22.91 27.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 111.658 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 111.728 -179.416 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.09 0 CA-C-O 120.721 0.296 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -41.4 85.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 0.0 110.584 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -76.73 -43.9 35.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.449 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.58 83.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.44 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.81 -48.44 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.968 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -41.84 93.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.671 HD13 HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -68.0 -51.45 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.51 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.477 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 59.0 p -67.99 -39.27 83.28 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.456 -0.153 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -62.71 -35.83 81.0 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.62 -32.38 61.78 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.375 -0.916 . . . . 0.0 110.873 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.815 HD23 HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -74.52 -40.24 61.87 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.493 0.187 . . . . 0.0 111.053 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.897 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -68.48 -44.73 74.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.682 0.277 . . . . 0.0 110.642 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -67.44 -38.79 85.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.022 0.439 . . . . 0.0 110.194 179.382 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.732 ' CE1' HD11 ' A' ' 22' ' ' LEU . 23.4 t80 -73.84 -32.71 63.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -68.97 -44.05 73.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.596 0.236 . . . . 0.0 110.801 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.2 t -68.91 -38.37 78.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.857 HD11 ' CZ2' ' A' ' 44' ' ' TRP . 13.9 tp -56.56 -45.87 81.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.447 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.732 HD11 ' CE1' ' A' ' 18' ' ' PHE . 11.5 mt -78.73 -48.85 14.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -58.51 -17.73 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -85.38 57.84 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 111.395 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.78 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 39.9 mm-40 -119.96 176.92 5.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.05 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.891 HG22 ' HB2' ' A' ' 29' ' ' ASP . 8.5 p -111.64 50.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.324 -0.55 . . . . 0.0 112.413 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.78 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 26.4 m-85 -62.75 141.35 58.63 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER 87.31 15.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -176.692 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.891 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -126.29 159.63 32.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.934 -179.454 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.71 73.32 0.84 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.333 -1.303 . . . . 0.0 113.395 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.797 HD13 HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -162.71 134.24 5.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.462 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER 95.4 139.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.139 0.576 . . . . 0.0 111.135 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -74.1 150.33 40.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.172 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.1 pp20? -74.48 -47.0 35.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.34 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.19 -42.36 73.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.999 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.777 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -59.18 -54.36 47.85 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.969 0.414 . . . . 0.0 110.335 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.469 ' O ' HG23 ' A' ' 41' ' ' VAL . 38.8 tpp -58.05 -44.42 87.43 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.487 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 34' ' ' GLU . 84.9 t -56.41 -45.92 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.776 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -64.63 -35.82 82.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.152 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 36' ' ' ASP . 48.0 t -58.1 -40.7 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-O 121.13 0.491 . . . . 0.0 110.453 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.813 HG22 ' CE2' ' A' ' 81' ' ' PHE . 34.5 t -68.52 -46.31 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.228 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -45.53 86.98 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.973 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.484 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 4.3 p30 -67.07 -35.05 78.98 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.046 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.857 ' CZ2' HD11 ' A' ' 21' ' ' LEU . 7.3 m0 -62.21 -49.44 75.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.076 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.603 ' O ' HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.81 -49.16 78.79 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.618 -179.182 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -43.62 98.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.939 0.399 . . . . 0.0 110.49 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.21 -40.26 89.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -70.02 -47.75 60.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.603 HD13 ' O ' ' A' ' 45' ' ' MET . 1.6 mp -57.76 -56.03 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.801 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -49.01 76.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.487 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -61.65 -49.68 75.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.363 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.961 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -65.22 -30.89 71.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.804 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.625 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -56.46 -41.99 77.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.647 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -90.95 -24.08 20.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.448 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -77.89 -19.35 54.92 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 52' ' ' TYR . 94.1 t -54.18 -99.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.264 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.591 ' N ' HG12 ' A' ' 56' ' ' VAL . 6.6 m 100.51 170.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.209 0.604 . . . . 0.0 109.705 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.512 ' H ' HG22 ' A' ' 57' ' ' THR . . . 91.05 -172.83 37.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.096 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.04 164.49 3.36 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 52.7 Cg_endo -68.93 -25.17 32.81 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.523 2.149 . . . . 0.0 112.478 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 46.4 tt0 -73.1 -48.36 36.43 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.05 -42.55 90.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.112 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.678 ' HA ' HG11 ' A' ' 56' ' ' VAL . 9.9 ptp180 -70.77 -50.83 31.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -57.71 -35.3 70.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -73.33 -38.13 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.43 -39.74 70.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.166 0.508 . . . . 0.0 110.37 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.625 HD21 ' CG ' ' A' ' 53' ' ' ARG . 2.8 mp -65.89 -40.7 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.867 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -69.88 -41.86 74.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 2.2 mt-10 -68.51 -26.17 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.709 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 11.2 mt -75.31 -51.28 13.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -57.36 -39.55 76.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.346 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 10.6 pt20 -70.95 -49.66 43.16 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.709 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.74 -50.07 74.46 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.307 179.703 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.405 ' CD2' ' CE2' ' A' ' 18' ' ' PHE . 16.6 mt -57.14 -45.08 83.87 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.969 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.66 -29.73 70.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.541 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -80.27 -29.76 38.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.415 179.379 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.815 HD11 HD23 ' A' ' 15' ' ' LEU . 18.7 mt -79.01 -45.99 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.26 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.417 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . . . -68.29 -21.33 64.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.505 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.475 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -58.64 -57.61 25.39 Favored Pre-proline 0 C--N 1.331 -0.236 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.321 -178.235 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.487 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 19.7 Cg_endo -60.16 -31.71 93.56 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.132 1.888 . . . . 0.0 112.564 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.813 ' CE2' HG22 ' A' ' 41' ' ' VAL . 1.1 t80 -73.69 -46.93 43.35 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.453 0.644 . . . . 0.0 111.335 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.798 HD23 HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -77.0 -32.45 57.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.746 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.1 -30.31 58.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.249 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -72.34 -46.79 53.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.614 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -35.45 75.03 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.33 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -62.2 -41.66 98.56 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.007 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -40.12 95.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.407 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CZ ' ' O ' ' A' ' 29' ' ' ASP . 1.3 t80 -65.8 -50.06 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.372 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 34' ' ' GLU . 70.1 mt -63.58 -39.62 94.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HD3' ' HD3' ' A' ' 86' ' ' ARG . 3.8 mptt -85.05 -29.13 25.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.991 0.424 . . . . 0.0 110.987 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.107 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.54 -43.26 89.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.142 0.496 . . . . 0.0 110.362 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -71.32 -46.59 60.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.528 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -60.06 -37.68 80.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.471 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.7 -46.29 79.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.894 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -60.4 -45.39 93.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.943 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 8' ' ' LYS . 12.3 mt -63.85 -51.91 63.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.441 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -62.93 -38.54 91.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.643 0.259 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -61.2 -45.25 95.37 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.1 -29.8 75.66 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.428 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -70.7 -40.22 73.0 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.638 0.256 . . . . 0.0 110.834 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.912 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -71.12 -44.78 64.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.184 -179.294 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.65 -46.59 89.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.272 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.712 ' CE2' HD11 ' A' ' 22' ' ' LEU . 4.8 t80 -59.43 -49.19 78.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.827 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.448 ' OG ' HD22 ' A' ' 77' ' ' LEU . 1.5 m -55.27 -41.19 71.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.518 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.0 t -64.08 -41.31 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.239 0.542 . . . . 0.0 110.066 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.798 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 6.9 tp -66.42 -46.76 75.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.446 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.781 HD22 ' HD2' ' A' ' 81' ' ' PHE . 68.3 mt -65.05 -41.58 95.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.617 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -76.78 -28.35 55.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.439 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -62.25 -3.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.5 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -80.93 149.75 29.27 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.6 t -79.51 127.58 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.835 0.35 . . . . 0.0 111.576 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 25' ' ' GLN . 61.0 m-85 -130.79 85.62 2.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -136.13 -65.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.021 0.439 . . . . 0.0 110.807 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.875 ' O ' HD23 ' A' ' 31' ' ' LEU . 9.3 p-10 -126.09 126.35 44.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.694 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.905 ' HB1' HD13 ' A' ' 89' ' ' LEU . . . -72.47 89.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.397 0.618 . . . . 0.0 112.359 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.875 HD23 ' O ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -103.7 -51.35 3.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.008 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.5 HG22 ' N ' ' A' ' 33' ' ' SER . 12.5 p -71.36 159.78 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.493 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.5 ' N ' HG22 ' A' ' 32' ' ' VAL . 33.7 t -66.67 154.3 40.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.848 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.8 tt0 -74.62 -47.1 34.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.361 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -33.52 58.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.229 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.885 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -61.88 -56.18 22.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.704 0.288 . . . . 0.0 110.537 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.474 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -60.27 -44.31 95.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.796 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 34' ' ' GLU . 53.2 t -56.9 -44.53 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.93 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -65.03 -35.23 80.52 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.024 0.44 . . . . 0.0 110.106 179.524 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 36' ' ' ASP . 38.4 t -61.63 -45.74 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.896 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.748 HG22 ' CE2' ' A' ' 81' ' ' PHE . 47.5 t -64.66 -42.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.672 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -43.03 86.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -48.67 80.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.798 ' CZ3' HD11 ' A' ' 21' ' ' LEU . 48.4 m0 -63.44 -48.46 77.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ttm -56.73 -48.85 76.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.421 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.08 -41.14 99.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.947 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -65.41 -34.25 77.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.814 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -71.59 -46.27 59.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.49 HD13 HD12 ' A' ' 70' ' ' LEU . 37.7 mm -60.8 -51.19 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -61.09 -41.93 97.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -67.11 -44.68 79.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.589 ' CE2' HD21 ' A' ' 70' ' ' LEU . 4.1 m-85 -62.44 -32.4 73.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.9 mtm180 -54.69 -34.58 62.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.458 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -13.75 53.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -91.06 24.01 3.0 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.755 0.312 . . . . 0.0 111.002 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.869 HG11 ' HG3' ' A' ' 63' ' ' ARG . 1.4 t -106.8 -173.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.822 ' H ' HG12 ' A' ' 56' ' ' VAL . 7.6 t 122.28 99.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.46 1.104 . . . . 0.0 110.152 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 178.42 22.72 0.03 OUTLIER Glycine 0 CA--C 1.527 0.825 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.693 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.61 ' HG2' ' H ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER 105.09 147.32 0.01 OUTLIER Pre-proline 0 N--CA 1.467 0.377 0 C-N-CA 124.594 1.157 . . . . 0.0 110.68 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.91 -51.09 7.88 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.999 2.466 . . . . 0.0 112.203 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.484 ' HG3' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -62.6 -30.08 71.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.126 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.61 ' H ' ' HG2' ' A' ' 59' ' ' GLU . 9.1 tp10 -73.48 -50.49 21.29 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.525 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.869 ' HG3' HG11 ' A' ' 56' ' ' VAL . 13.7 ttp180 -65.03 -55.72 17.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.925 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -43.12 86.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.922 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 7.0 ttpt -68.26 -34.95 77.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.336 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.32 -41.09 57.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.205 0.526 . . . . 0.0 110.397 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.423 HD21 ' HG2' ' A' ' 53' ' ' ARG . 8.2 mt -70.4 -39.23 74.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.813 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 5.1 pp0? -67.25 -47.09 71.79 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.265 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -61.59 -34.58 75.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.902 179.001 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.589 HD21 ' CE2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -62.43 -51.83 65.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.48 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -57.42 -40.88 79.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.695 0.283 . . . . 0.0 110.581 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' O ' HG22 ' A' ' 76' ' ' THR . 1.7 mt-30 -64.41 -49.38 71.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.582 ' HG3' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -60.76 -27.06 67.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.51 -179.555 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.582 HD23 ' HG3' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -78.39 -47.97 16.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.124 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.33 -35.38 77.23 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 77' ' ' LEU . 7.8 t -69.97 -52.42 24.5 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' N ' HG23 ' A' ' 76' ' ' THR . 86.5 mt -61.08 -41.25 96.29 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.639 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.95 -16.47 56.92 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 111.718 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -58.76 -57.1 29.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.234 -177.75 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.447 ' CD ' ' O ' ' A' ' 76' ' ' THR . 50.3 Cg_endo -68.8 -25.19 33.57 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.402 2.068 . . . . 0.0 113.374 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.781 ' HD2' HD22 ' A' ' 22' ' ' LEU . 1.6 t80 -74.01 -48.31 31.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 111.521 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 82' ' ' LEU . 7.0 mt -64.9 -41.3 95.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.826 -179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.27 -38.38 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.349 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HE3' ' CD2' ' A' ' 27' ' ' PHE . 7.6 tttp -62.1 -37.22 84.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.565 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 5.6 t80 -75.9 -38.05 58.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -47.34 81.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.896 0.379 . . . . 0.0 110.48 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.68 -35.85 75.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.897 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -66.95 -40.23 87.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.805 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.905 HD13 ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -74.24 -38.42 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.93 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -7.01 54.73 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.842 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HA ' ' HG2' ' A' ' 8' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.222 -0.348 0 CA-C-O 121.238 0.542 . . . . 0.0 110.143 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.48 -34.42 35.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.951 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.438 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.4 m-80 -74.35 -47.17 36.03 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.416 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.53 ' HG2' ' HA ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -71.14 -30.98 67.15 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.023 0.44 . . . . 0.0 110.54 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.74 -44.68 76.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.366 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -42.5 99.64 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.429 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 7' ' ' ASN . 1.5 mp -69.45 -52.3 33.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.454 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -65.89 -38.98 90.16 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 122.112 -0.368 . . . . 0.0 111.073 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.589 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -63.92 -36.8 85.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.282 0.563 . . . . 0.0 109.576 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.24 -38.33 58.96 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.016 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.799 HD11 ' CB ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -71.02 -40.88 71.5 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.893 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.88 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -64.18 -45.04 90.12 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.13 -34.42 77.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.376 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.588 ' CD2' HD11 ' A' ' 22' ' ' LEU . 15.9 t80 -62.98 -42.33 99.81 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.923 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.832 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -69.4 -42.0 75.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.693 0.282 . . . . 0.0 111.085 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.6 t -62.54 -32.19 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.386 0.612 . . . . 0.0 109.454 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.981 HD11 ' CH2' ' A' ' 44' ' ' TRP . 4.2 tp -70.72 -40.13 73.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.621 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 19' ' ' SER . 6.6 mt -68.32 -44.29 75.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.167 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -30.96 63.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.717 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -100.94 30.04 4.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.665 0.269 . . . . 0.0 111.384 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.553 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -61.18 176.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.84 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.572 HG13 ' OH ' ' A' ' 85' ' ' TYR . 4.0 p -103.0 115.06 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.388 0.613 . . . . 0.0 110.974 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 41.3 m-85 -141.46 96.28 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.061 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.54 -63.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 119.466 1.03 . . . . 0.0 109.103 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -126.47 92.62 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.658 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.718 ' HB1' HD22 ' A' ' 89' ' ' LEU . . . -72.2 165.08 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -177.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.584 ' C ' HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER 102.05 68.53 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.003 -179.071 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.584 HG12 ' C ' ' A' ' 31' ' ' LEU . 1.5 p 153.96 -39.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.289 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.456 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 1.9 m -75.08 -4.07 36.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.556 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 38' ' ' VAL . 38.2 tt0 -63.65 -48.34 77.62 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.11 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.35 -44.88 57.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.193 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.907 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.9 t70 -59.95 -52.7 64.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.224 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 85' ' ' TYR . 10.5 tpp -58.07 -45.52 86.94 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 34' ' ' GLU . 3.7 t -55.68 -45.44 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.231 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 43' ' ' ASP . 54.7 m -67.55 -32.76 73.76 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.879 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 36' ' ' ASP . 67.4 t -62.54 -51.35 73.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.885 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.783 HG22 ' CE2' ' A' ' 81' ' ' PHE . 65.9 t -59.33 -49.9 81.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 110.177 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 45' ' ' MET . 1.4 tt0 -58.05 -39.12 77.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.571 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -64.3 -50.13 69.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.046 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.981 ' CH2' HD11 ' A' ' 21' ' ' LEU . 41.0 m0 -60.38 -49.49 77.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.973 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 6.2 ptp -56.96 -42.55 80.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 45' ' ' MET . 0.5 OUTLIER -69.53 -41.83 75.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.477 179.636 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -64.1 -36.13 83.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.217 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.73 -51.67 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 45' ' ' MET . 32.4 mm -56.21 -45.07 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.361 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 1.9 t30 -66.5 -43.92 84.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.311 . . . . 0.0 111.584 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.49 -29.15 62.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.708 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.679 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.9 m-85 -84.29 -44.42 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.339 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.815 ' HB2' HD11 ' A' ' 67' ' ' LEU . 4.3 ptm85 -51.54 -32.54 28.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -97.37 -25.57 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.663 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.454 ' HB2' ' HA ' ' A' ' 52' ' ' TYR . 5.7 mm100 -71.05 -9.8 58.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 52' ' ' TYR . 48.2 t -83.75 -74.59 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.604 0.24 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.567 HG23 ' C ' ' A' ' 56' ' ' VAL . 4.6 p 88.45 -118.48 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.522 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.505 ' N ' ' OG1' ' A' ' 57' ' ' THR . . . 39.15 -165.13 0.01 OUTLIER Glycine 0 C--N 1.34 0.801 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.316 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.05 167.33 9.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 122.798 -0.236 . . . . 0.0 110.474 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.38 -25.13 76.09 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.377 2.052 . . . . 0.0 112.491 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -47.9 58.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.229 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.74 -39.44 84.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -55.0 6.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.01 -40.73 81.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -72.55 -43.13 63.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.247 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.815 HD11 ' HB2' ' A' ' 53' ' ' ARG . 12.0 mt -70.66 -45.58 64.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.284 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -63.24 -34.46 77.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.782 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 1.8 tt0 -72.64 -38.33 67.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 52' ' ' TYR . 6.4 tp -64.61 -51.72 61.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.675 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -57.25 -43.94 83.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.49 -50.35 69.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 110.372 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.799 ' CB ' HD11 ' A' ' 15' ' ' LEU . 7.0 mm-40 -56.43 -50.94 70.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.161 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.4 -48.13 77.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.013 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.52 -27.7 67.82 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.087 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.457 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 17.0 m -74.06 -55.81 5.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.373 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.567 HD11 HD23 ' A' ' 15' ' ' LEU . 20.6 mt -57.97 -43.49 86.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.902 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.42 -27.17 68.34 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.447 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.1 m120 -57.88 -55.89 40.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.787 -176.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HD2' ' O ' ' A' ' 76' ' ' THR . 38.5 Cg_endo -67.42 -24.24 43.07 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 121.91 1.74 . . . . 0.0 112.369 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.783 ' CE2' HG22 ' A' ' 41' ' ' VAL . 1.2 t80 -74.15 -44.98 51.58 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.051 0.453 . . . . 0.0 110.573 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -40.27 94.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.214 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.45 92.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.242 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -47.04 88.06 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.572 ' OH ' HG13 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -70.53 -38.65 74.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.622 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 11.9 mmm180 -64.17 -30.8 71.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.32 -38.96 68.55 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.297 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.679 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 1.1 t80 -63.93 -42.41 97.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.172 0.51 . . . . 0.0 110.248 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.718 HD22 ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -74.34 -35.27 63.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.406 179.338 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -72.14 -31.52 66.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.235 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -178.532 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.217 0 CA-C-O 120.791 0.329 . . . . 0.0 111.615 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.61 -31.66 16.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 39.4 p-10 -69.4 -45.69 68.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.008 0.433 . . . . 0.0 110.145 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.501 ' HA ' HD12 ' A' ' 11' ' ' ILE . 2.6 tmmm? -65.3 -39.4 92.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.869 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -60.73 -39.78 89.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.95 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -45.14 88.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 8' ' ' LYS . 16.2 mt -64.17 -51.51 67.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.194 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 t -65.6 -37.75 87.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.7 95.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.017 0.436 . . . . 0.0 110.139 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.69 -37.38 61.6 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.333 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.856 HD11 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -69.06 -39.74 78.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 110.254 179.329 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.4 tttm -65.78 -53.1 44.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.174 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -55.58 -38.68 69.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.946 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.92 -44.56 97.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.603 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.6 p -62.86 -38.73 91.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.0 t -68.82 -42.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.193 0.521 . . . . 0.0 109.889 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.932 HD11 ' CH2' ' A' ' 44' ' ' TRP . 2.7 tp -62.47 -43.19 99.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.88 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.878 HD21 ' CG ' ' A' ' 81' ' ' PHE . 1.2 tt -64.46 -34.96 79.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.831 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 19.9 p30 -82.81 -27.92 30.59 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.471 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.0 pt20 -65.49 2.88 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.534 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.1 mp0 -64.34 176.63 1.01 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 26' ' ' VAL . 14.8 p -99.76 50.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 92.2 m-85 -66.02 85.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.422 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -169.7 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.045 0.45 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -126.0 99.13 5.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.985 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.899 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -71.2 164.62 25.3 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.635 ' O ' HG12 ' A' ' 32' ' ' VAL . 26.6 mt 123.12 -172.38 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 112.955 -1.93 . . . . 0.0 107.757 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER 87.07 16.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 118.523 0.601 . . . . 0.0 111.247 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p 63.24 135.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.838 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.61 -29.51 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.33 -36.29 79.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.438 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.91 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.21 -53.74 48.34 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.0 tpp -60.25 -47.49 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.7 t -56.41 -44.99 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.763 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.0 m -64.1 -32.65 74.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.276 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 36' ' ' ASP . 39.3 t -67.5 -46.2 83.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.703 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.862 HG22 ' CE2' ' A' ' 81' ' ' PHE . 17.0 t -59.43 -52.61 58.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.569 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 45' ' ' MET . 2.4 tt0 -60.96 -41.2 95.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.646 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -49.48 74.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.674 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.932 ' CH2' HD11 ' A' ' 21' ' ' LEU . 40.2 m0 -59.4 -48.73 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.417 ' HG3' ' HA ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -52.83 -49.01 66.58 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.425 -179.219 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -64.48 -39.83 94.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.83 -36.27 83.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.356 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.419 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 3.6 m-85 -68.2 -50.49 53.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.803 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.456 HD11 HD13 ' A' ' 74' ' ' LEU . 1.4 mp -57.35 -52.7 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.336 . . . . 0.0 110.795 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.07 -40.63 81.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.902 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -73.49 -49.74 25.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.848 0.356 . . . . 0.0 111.585 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.925 ' CD2' HD21 ' A' ' 70' ' ' LEU . 18.0 m-85 -57.42 -37.53 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.19 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.891 ' HG2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -51.2 -37.48 46.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.16 -5.72 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.097 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.39 23.44 10.2 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.67 0.272 . . . . 0.0 111.466 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.852 HG12 ' H ' ' A' ' 58' ' ' GLY . 24.3 t -97.35 -85.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.075 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.8 p 89.01 -2.3 0.4 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.223 0.609 . . . . 0.0 111.432 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.852 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -86.13 -177.69 49.9 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 3.7 pm0 -71.3 165.17 50.95 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 117.84 0.82 . . . . 0.0 111.182 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.486 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 4.1 Cg_endo -46.1 -31.75 9.14 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.845 2.364 . . . . 0.0 112.574 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 26.4 tt0 -73.13 -46.77 49.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -43.73 98.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.838 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.608 ' HA ' HG11 ' A' ' 56' ' ' VAL . 24.0 mtt180 -65.69 -51.21 61.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.127 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.64 -50.61 68.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.344 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -53.22 -47.36 69.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.326 -179.364 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.25 60.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.238 0.542 . . . . 0.0 109.672 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.891 HD11 ' HG2' ' A' ' 53' ' ' ARG . 19.7 mt -53.45 -34.89 59.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.971 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -50.23 41.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.704 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -28.39 69.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.163 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.925 HD21 ' CD2' ' A' ' 52' ' ' TYR . 1.5 tp -68.74 -49.45 58.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.407 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -60.84 -43.1 98.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.757 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -65.12 -44.22 89.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.856 ' CG ' HD11 ' A' ' 15' ' ' LEU . 6.9 mm-40 -63.1 -39.53 94.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.456 HD13 HD11 ' A' ' 49' ' ' ILE . 7.1 mt -67.54 -39.4 85.0 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.185 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' ASN . 22.0 m-80 -62.58 -50.28 71.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.207 0.527 . . . . 0.0 109.715 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 73' ' ' GLU . 8.9 t -60.91 -38.18 84.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.631 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.762 HD11 HD23 ' A' ' 15' ' ' LEU . 10.4 mt -78.44 -33.89 48.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.298 0.571 . . . . 0.0 110.424 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.73 -28.88 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.394 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.602 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.37 -44.01 98.73 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.132 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 39.2 Cg_endo -66.7 -25.86 46.21 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 121.323 1.349 . . . . 0.0 111.277 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.878 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.2 t80 -70.27 -44.04 69.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.775 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -36.87 68.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.521 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . . . -76.46 -35.59 58.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.24 0.543 . . . . 0.0 110.131 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -66.14 -40.68 90.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.737 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.481 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 0.6 OUTLIER -74.94 -42.34 57.88 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.709 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -60.51 -38.57 84.78 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.016 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 86' ' ' ARG . 1.9 t70 -71.39 -37.01 71.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.899 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -61.19 -50.32 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.462 179.304 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.838 HD12 ' HB3' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -70.04 -27.47 64.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.328 -179.742 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -7.68 54.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.732 0.301 . . . . 0.0 110.872 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.331 -0.198 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.156 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.33 -38.4 52.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.825 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -46.26 45.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.282 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -29.84 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -43.48 62.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.076 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -43.57 84.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.856 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.4 -51.26 70.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -66.86 -38.59 86.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.557 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . -60.99 -35.21 76.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 109.972 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.09 -36.25 51.8 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.404 -0.903 . . . . 0.0 110.966 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.951 HD23 HD11 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -69.62 -40.6 76.48 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-O 120.603 0.239 . . . . 0.0 110.81 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.931 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -68.02 -53.19 27.69 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.753 0.311 . . . . 0.0 110.623 -179.524 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -57.91 -37.44 74.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.792 ' CZ ' HD11 ' A' ' 22' ' ' LEU . 23.4 t80 -70.47 -43.41 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.754 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -42.88 90.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.212 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.2 t -74.4 -28.96 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.082 0.468 . . . . 0.0 109.816 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -63.34 -44.73 94.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.877 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.792 HD11 ' CZ ' ' A' ' 18' ' ' PHE . 60.4 mt -82.57 -49.35 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 111.638 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' GLN . 57.8 m-20 -68.83 -16.67 63.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 2.9 tp-100 -23.91 -73.14 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.048 -0.978 . . . . 0.0 113.373 -178.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -54.78 152.98 6.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.106 0.479 . . . . 0.0 112.131 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.5 p -83.98 88.68 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -62.01 116.6 5.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.359 0.6 . . . . 0.0 111.048 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -134.68 -66.66 0.59 Allowed 'General case' 0 C--O 1.23 0.068 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.834 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -126.36 91.63 3.4 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.08 88.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.32 -63.39 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.264 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 33' ' ' SER . 14.5 p -32.08 154.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.452 ' N ' HG22 ' A' ' 32' ' ' VAL . 65.2 p -50.4 137.31 18.99 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.971 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.869 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.1 pp20? -74.82 -44.74 47.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.696 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.89 -43.09 69.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.712 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.695 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.2 t70 -56.48 -56.25 23.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.454 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 41.5 tpp -57.97 -42.35 84.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 34' ' ' GLU . 98.3 t -56.43 -45.68 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.685 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -63.24 -37.05 85.7 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.596 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 36' ' ' ASP . 39.2 t -57.68 -36.71 55.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.276 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.806 HG11 HD11 ' A' ' 82' ' ' LEU . 32.4 t -70.72 -47.5 63.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.796 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 45' ' ' MET . 3.8 mt-10 -61.37 -44.14 97.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.867 0.365 . . . . 0.0 110.665 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.9 -46.45 84.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.769 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.5 ' CH2' HD11 ' A' ' 21' ' ' LEU . 16.5 m0 -59.05 -49.41 78.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 1.9 ptm -61.72 -42.06 98.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.09 -44.41 76.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.902 0.382 . . . . 0.0 110.388 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -58.41 -36.56 73.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.442 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.38 -46.29 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.765 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.858 HD11 ' HG3' ' A' ' 71' ' ' ARG . 1.4 tp -57.08 -48.92 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.422 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -66.5 -44.56 82.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.909 0.385 . . . . 0.0 111.071 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.76 -27.58 67.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -84.7 -41.34 16.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.762 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.851 ' HB3' HD11 ' A' ' 67' ' ' LEU . 13.4 ptm180 -58.08 -40.76 81.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.603 0.24 . . . . 0.0 110.999 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -32.78 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 46.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.758 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 63' ' ' ARG . 1.6 t -148.3 89.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 57' ' ' THR . 23.8 m -92.6 27.58 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.79 -171.84 27.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.165 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.38 161.09 4.39 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.491 ' HA ' ' CG ' ' A' ' 63' ' ' ARG . 29.2 Cg_endo -62.16 -26.77 78.08 Favored 'Trans proline' 0 CA--C 1.517 -0.343 0 C-N-CA 122.468 2.112 . . . . 0.0 112.164 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 10.4 mt-30 -72.94 -48.42 37.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -43.59 80.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.139 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.681 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -74.41 -47.66 32.47 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.079 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.54 -40.45 83.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.997 0.427 . . . . 0.0 110.953 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -73.95 -40.96 62.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.73 -32.21 71.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 0.0 110.62 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.851 HD11 ' HB3' ' A' ' 53' ' ' ARG . 3.3 mm? -72.26 -45.93 58.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.689 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' A' ' 65' ' ' LYS . 11.8 pt20 -63.39 -36.58 84.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.046 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -35.76 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.892 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.44 -51.98 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.174 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.858 ' HG3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -60.23 -36.61 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.494 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.479 ' O ' HG22 ' A' ' 76' ' ' THR . 4.6 tp-100 -69.59 -49.3 55.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 8.4 pt-20 -58.53 -43.53 89.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' A' ' 18' ' ' PHE . 39.7 mt -65.94 -41.3 91.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.609 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -67.73 -31.99 72.3 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 72' ' ' GLN . 9.1 t -81.88 -28.42 32.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.507 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.951 HD11 HD23 ' A' ' 15' ' ' LEU . 13.0 mt -81.53 -39.93 23.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.703 ' HB2' ' HZ ' ' A' ' 18' ' ' PHE . . . -78.74 -20.15 50.66 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.444 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.552 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -59.11 -54.94 51.46 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.946 -178.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -60.0 -37.63 83.69 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 121.98 1.786 . . . . 0.0 111.785 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.753 ' CD2' ' HB3' ' A' ' 22' ' ' LEU . 2.9 t80 -67.42 -35.54 79.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.806 HD11 HG11 ' A' ' 41' ' ' VAL . 6.8 mp -77.54 -39.22 46.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.78 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.56 -36.03 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.152 0.501 . . . . 0.0 109.991 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 6.2 ttpm? -69.59 -46.4 66.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.606 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.519 ' O ' HD23 ' A' ' 89' ' ' LEU . 6.1 t80 -61.77 -44.99 95.79 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.822 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.409 ' HE ' HD11 ' A' ' 89' ' ' LEU . 1.1 mmp_? -57.39 -54.48 46.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.958 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -38.77 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.536 0.684 . . . . 0.0 109.477 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -61.19 -51.37 69.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.975 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.606 HD13 ' CB ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -74.24 -24.89 59.37 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.552 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -87.36 -13.84 42.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.46 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.331 -0.213 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 -179.513 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 120.599 0.238 . . . . 0.0 111.576 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.53 93.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.021 0.439 . . . . 0.0 110.644 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -63.46 -46.45 86.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.93 -31.6 72.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.941 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -65.45 -49.08 70.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.231 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.24 -46.47 90.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.871 0.367 . . . . 0.0 110.826 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 8' ' ' LYS . 21.1 mt -58.4 -50.6 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -58.98 -37.21 76.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.785 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.753 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -65.68 -45.91 81.09 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.87 79.01 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.005 -1.093 . . . . 0.0 111.224 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.666 HD23 HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -73.86 -40.36 63.3 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.569 0.223 . . . . 0.0 110.774 179.734 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.866 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -69.44 -43.2 73.81 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.774 0.321 . . . . 0.0 110.384 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.75 -46.73 89.32 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.468 ' CE1' HD21 ' A' ' 22' ' ' LEU . 3.4 t80 -55.51 -49.05 73.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.624 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -56.75 -40.47 75.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.247 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 16' ' ' LYS . 3.9 t -61.9 -42.5 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.146 0.498 . . . . 0.0 110.307 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.912 HD21 ' CE3' ' A' ' 44' ' ' TRP . 4.3 tp -58.97 -48.42 81.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.845 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.996 HD22 ' CD2' ' A' ' 81' ' ' PHE . 16.3 mt -59.8 -42.35 93.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.268 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.95 -33.93 71.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.91 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -85.97 62.25 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.056 0.455 . . . . 0.0 110.936 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.686 ' HG3' ' HE3' ' A' ' 37' ' ' MET . 0.5 OUTLIER -110.93 176.59 4.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.459 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . 19.9 t -94.81 62.82 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 121.259 0.552 . . . . 0.0 111.981 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.529 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 69.7 m-85 -64.82 167.3 7.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.641 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 27' ' ' PHE . 1.5 m-80 82.36 -88.48 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.602 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 26.8 m-20 -58.42 159.12 6.6 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.647 ' HB1' HD12 ' A' ' 89' ' ' LEU . . . -126.12 71.09 1.24 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.222 -0.299 . . . . 0.0 110.516 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.811 ' O ' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -152.19 56.64 0.83 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.159 0.504 . . . . 0.0 111.493 -178.804 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.926 HG11 ' OH ' ' A' ' 85' ' ' TYR . 13.8 p -133.09 16.15 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.83 112.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.347 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 38' ' ' VAL . 29.9 tt0 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.747 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.7 -35.2 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.764 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.877 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.3 t70 -62.31 -55.45 28.07 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.686 ' HE3' ' HG3' ' A' ' 25' ' ' GLN . 55.7 tpp -59.34 -46.4 88.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 34' ' ' GLU . 84.1 t -57.01 -42.9 80.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.2 m -64.29 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 110.228 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 36' ' ' ASP . 16.7 t -61.32 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.978 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.62 -43.91 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.845 0.355 . . . . 0.0 110.489 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -39.97 94.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.824 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -38.91 83.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.603 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.912 ' CE3' HD21 ' A' ' 21' ' ' LEU . 15.8 m0 -67.33 -48.45 67.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.757 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.55 ' O ' HD12 ' A' ' 49' ' ' ILE . 28.0 ttm -57.99 -48.89 78.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.539 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.38 -41.04 98.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.166 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -67.72 -32.17 72.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.553 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.79 -46.32 58.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 74' ' ' LEU . 1.3 mp -62.08 -40.41 87.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.582 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 12.1 m-80 -68.85 -39.31 79.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.97 -31.87 51.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.891 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.38 -38.28 60.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.586 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.765 ' HB3' HD21 ' A' ' 67' ' ' LEU . 14.3 ptp180 -55.51 -21.58 17.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.572 0.225 . . . . 0.0 111.51 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -75.84 -32.96 60.02 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 111.359 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -86.53 25.97 1.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.927 HG11 ' HA ' ' A' ' 63' ' ' ARG . 9.4 t -94.58 26.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -26.96 -15.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.827 ' N ' ' O ' ' A' ' 56' ' ' VAL . . . -68.15 175.22 28.74 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 176.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.6 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -80.85 177.58 2.92 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 119.503 1.652 . . . . 0.0 111.341 -179.368 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.6 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.7 Cg_endo -44.88 -33.97 8.05 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.949 2.433 . . . . 0.0 113.057 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 7.7 pt20 -69.14 -38.74 78.97 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -67.94 -33.5 74.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.578 178.6 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.927 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -72.02 -55.39 7.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.234 179.339 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -40.58 79.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -76.87 -47.36 21.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.774 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -63.15 -39.16 93.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.046 0.45 . . . . 0.0 110.642 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 53' ' ' ARG . 51.5 mt -69.37 -46.01 67.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.464 ' HG2' ' HA ' ' A' ' 65' ' ' LYS . 6.1 pt20 -64.76 -39.01 92.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.903 0.382 . . . . 0.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.4 -35.82 80.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.22 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -51.78 41.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.096 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -36.03 77.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -65.77 -50.28 65.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.615 ' CB ' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -62.19 -33.54 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.342 179.596 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.559 HD12 HD11 ' A' ' 49' ' ' ILE . 43.8 mt -71.27 -50.99 27.0 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.263 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -61.07 -24.8 66.48 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.755 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.2 m -87.29 -22.85 24.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.76 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.666 HD11 HD23 ' A' ' 15' ' ' LEU . 12.3 mt -87.36 -38.87 15.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.97 0.414 . . . . 0.0 110.29 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.61 -18.25 45.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.24 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.47 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -59.2 -55.85 42.03 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.052 -179.032 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 43.0 Cg_endo -68.5 -29.11 31.3 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.118 1.879 . . . . 0.0 112.494 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.996 ' CD2' HD22 ' A' ' 22' ' ' LEU . 9.5 t80 -73.94 -48.16 32.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.562 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.515 HD11 HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -63.74 -39.71 94.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.481 -179.245 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.604 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . . . -70.62 -46.04 64.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 110.311 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -61.37 -38.99 89.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.861 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.926 ' OH ' HG11 ' A' ' 32' ' ' VAL . 6.0 t80 -72.47 -43.6 63.47 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.352 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.604 ' HG2' ' HA ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -59.58 -31.76 69.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.173 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 86' ' ' ARG . 0.7 OUTLIER -75.57 -35.02 60.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.038 178.672 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -65.62 -41.99 92.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.875 178.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.647 HD12 ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -74.61 -39.35 62.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.798 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -2.28 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.7 p . . . . . 0 C--N 1.332 -0.164 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.225 -0.186 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.34 -40.5 59.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 0.0 111.45 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -70.18 -46.53 64.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.237 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -27.13 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.675 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -71.96 -46.47 57.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.113 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.27 -43.71 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.917 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 mt -63.73 -51.56 68.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.578 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -34.81 76.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.659 0.266 . . . . 0.0 110.982 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.96 93.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 109.901 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.06 -35.78 89.64 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.39 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.91 -40.08 87.58 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.064 0.459 . . . . 0.0 110.084 179.402 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.835 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.9 tttt -68.48 -53.07 25.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.064 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.44 -43.09 75.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.718 ' CD1' HD11 ' A' ' 22' ' ' LEU . 4.6 t80 -66.33 -43.7 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.636 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -41.85 90.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -68.52 -40.5 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.488 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.978 HD11 ' CH2' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -56.55 -47.53 79.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.203 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.758 HD22 ' CD2' ' A' ' 81' ' ' PHE . 3.9 mt -73.37 -38.25 65.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.687 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -65.91 -19.24 65.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 21' ' ' LEU . 7.1 pt20 -88.31 57.06 4.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 111.79 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.8 mp0 -110.54 176.75 4.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.09 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 26' ' ' VAL . 17.0 t -97.05 50.55 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 59.3 m-85 -63.07 87.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.999 0.904 . . . . 0.0 110.284 -178.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.424 ' N ' ' CE2' ' A' ' 88' ' ' PHE . 56.9 t30 175.72 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 113.733 -1.576 . . . . 0.0 108.018 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.26 161.11 19.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 113.99 -1.459 . . . . 0.0 107.309 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -124.14 160.29 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 119.287 0.949 . . . . 0.0 109.505 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.849 HD22 ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER 173.44 165.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.586 0.231 . . . . 0.0 110.441 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.849 ' HB ' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER 61.63 128.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.8 m -53.64 157.81 2.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 38' ' ' VAL . 35.9 tt0 -55.43 -44.67 76.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.62 -30.09 65.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.713 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.5 -55.14 30.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.178 179.582 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.528 ' HE2' ' HZ ' ' A' ' 81' ' ' PHE . 4.1 tpt -57.94 -48.5 79.75 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 34' ' ' GLU . 98.6 t -56.18 -44.42 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.63 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.3 m -63.63 -37.95 89.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 109.921 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 36' ' ' ASP . 59.9 t -55.0 -51.53 52.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.554 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.68 -32.77 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.956 0.408 . . . . 0.0 110.091 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -44.11 91.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.415 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.459 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 2.3 p30 -73.05 -39.04 66.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.694 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.978 ' CH2' HD11 ' A' ' 21' ' ' LEU . 35.7 m0 -62.66 -49.63 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.969 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.2 ttm -60.7 -48.99 79.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.589 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -63.78 -42.19 97.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.516 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -63.52 -35.72 81.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.548 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.9 -48.79 62.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.0 mm -58.31 -48.47 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.001 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -60.01 -47.83 84.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.094 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -63.25 -49.49 73.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.912 ' O ' HG23 ' A' ' 56' ' ' VAL . 6.7 m-85 -61.92 -36.77 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.56 ' HA ' HD21 ' A' ' 67' ' ' LEU . 40.3 tpt85 -52.91 -37.41 60.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.98 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -26.17 20.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.22 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -78.88 -18.56 53.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.885 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 52' ' ' TYR . 93.9 t -69.39 -87.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 121.136 -0.226 . . . . 0.0 111.108 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.641 HG22 ' H ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER 87.91 -168.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.694 0.397 . . . . 0.0 110.09 -179.026 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 57' ' ' THR . . . 80.39 -172.68 54.68 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.678 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 4.3 mt-10 -56.92 167.79 0.99 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 117.12 0.46 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 30.7 Cg_endo -63.57 -28.25 69.9 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.466 2.111 . . . . 0.0 112.595 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -68.82 -48.06 64.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.973 0.416 . . . . 0.0 110.097 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.91 -40.58 84.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.785 ' HA ' HG11 ' A' ' 56' ' ' VAL . 29.2 mtt180 -73.52 -55.06 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.91 -38.6 76.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.555 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -72.36 -47.25 50.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.811 0.339 . . . . 0.0 111.273 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.72 89.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.119 0.485 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 63' ' ' ARG . 4.3 mm? -68.37 -45.97 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.147 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 1.1 pp0? -64.54 -32.35 73.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.528 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 5.5 mt-10 -69.46 -40.81 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.078 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.849 HD12 HD11 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -65.94 -51.81 55.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.005 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 ttm105 -57.58 -34.92 69.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.034 0.445 . . . . 0.0 110.132 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.429 ' HA ' ' ND2' ' A' ' 75' ' ' ASN . 4.6 tp-100 -72.08 -50.5 27.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.037 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.734 ' OE1' HD12 ' A' ' 77' ' ' LEU . 1.2 pp20? -59.37 -40.24 85.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.036 0.446 . . . . 0.0 110.234 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.849 HD11 HD12 ' A' ' 70' ' ' LEU . 37.9 mt -64.96 -46.92 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.935 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 76' ' ' THR . 25.8 p30 -65.94 -31.09 71.81 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.321 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.487 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 14.3 t -82.82 -28.45 30.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.468 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.734 HD12 ' OE1' ' A' ' 73' ' ' GLU . 12.0 mt -79.95 -41.67 25.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.421 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.66 -21.18 61.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.5 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -59.08 -56.43 36.19 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.329 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 22.8 Cg_endo -61.57 -37.0 73.22 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.121 1.881 . . . . 0.0 112.476 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.758 ' CD2' HD22 ' A' ' 22' ' ' LEU . 4.1 t80 -63.8 -34.87 78.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -35.09 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.46 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.35 -37.77 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.11 0.481 . . . . 0.0 109.986 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HD3' ' CE1' ' A' ' 27' ' ' PHE . 2.7 tttm -63.96 -45.78 87.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.365 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.426 ' CD2' ' HG2' ' A' ' 37' ' ' MET . 2.5 t80 -67.17 -38.92 86.24 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.648 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -60.59 -37.68 82.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.048 0.451 . . . . 0.0 110.342 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -39.33 71.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.528 ' HE1' ' HB2' ' A' ' 30' ' ' ALA . 8.9 t80 -73.78 -28.17 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.709 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -48.02 33.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.631 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -26.1 47.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.519 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.502 -179.542 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.664 0.269 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.94 -33.6 25.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.217 0.532 . . . . 0.0 110.224 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.15 -39.82 65.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.854 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -40.16 92.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.221 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.79 -41.44 97.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.742 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -45.9 91.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.461 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.664 HG22 HD13 ' A' ' 15' ' ' LEU . 16.5 mm -65.1 -51.57 64.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.3 t -60.6 -41.96 95.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.644 0.259 . . . . 0.0 111.169 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.88 89.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.98 0.419 . . . . 0.0 110.208 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -75.05 -30.64 58.82 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.33 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.774 HD21 ' HG2' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -72.41 -39.85 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.019 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 20' ' ' VAL . 17.5 ttmt -65.64 -53.11 45.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.192 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 2.4 pp20? -56.17 -39.22 72.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.971 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.938 ' CE2' HD11 ' A' ' 22' ' ' LEU . 6.8 t80 -60.83 -49.09 78.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.019 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.09 -38.71 80.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.379 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.4 t -67.73 -32.45 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.126 0.488 . . . . 0.0 110.242 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.959 HD11 ' CH2' ' A' ' 44' ' ' TRP . 9.2 tp -77.06 -45.17 27.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.938 HD11 ' CE2' ' A' ' 18' ' ' PHE . 80.8 mt -66.08 -34.3 77.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' A' ' 25' ' ' GLN . 8.6 m-80 -85.59 -26.73 25.94 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -60.26 14.13 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 14.2 mm-40 -82.77 176.79 9.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 118.238 0.472 . . . . 0.0 110.253 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 26' ' ' VAL . 19.3 t -103.03 50.95 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 25' ' ' GLN . 2.2 m-85 -62.64 93.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.393 0.616 . . . . 0.0 110.401 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -156.88 -50.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.475 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.43 108.03 10.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.906 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 89' ' ' LEU . . . -71.45 109.93 5.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.923 0.868 . . . . 0.0 112.901 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.576 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 1.8 mp -170.79 170.08 6.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 113.745 -1.571 . . . . 0.0 107.612 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.576 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 1.3 p 112.87 -53.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.246 0.619 . . . . 0.0 111.786 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 11.2 t 146.44 129.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.797 0.439 . . . . 0.0 110.579 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.695 ' O ' HG23 ' A' ' 38' ' ' VAL . 15.5 tp10 -74.7 -47.01 33.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.66 -29.7 70.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.815 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.89 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.5 t70 -63.39 -56.15 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.429 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.465 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 52.8 tpp -58.05 -47.04 84.34 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 34' ' ' GLU . 78.0 t -56.63 -44.86 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.162 -178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -34.22 77.51 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-O 120.989 0.423 . . . . 0.0 110.388 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 36' ' ' ASP . 29.6 t -63.73 -48.97 84.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.05 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.661 HG22 ' HE2' ' A' ' 81' ' ' PHE . 31.3 t -59.94 -47.59 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -41.08 98.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.395 . . . . 0.0 110.698 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -60.99 -50.32 73.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.31 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.959 ' CH2' HD11 ' A' ' 21' ' ' LEU . 49.8 m0 -61.19 -48.78 79.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.509 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.539 ' O ' HD12 ' A' ' 49' ' ' ILE . 23.3 ttp -55.76 -48.83 74.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.783 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -63.47 -39.64 94.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.827 0.346 . . . . 0.0 110.959 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -65.82 -38.53 89.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.423 . . . . 0.0 110.455 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 2.5 m-85 -65.49 -48.4 72.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.029 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.609 HG23 HD12 ' A' ' 67' ' ' LEU . 1.3 mp -59.1 -48.0 88.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.759 0.314 . . . . 0.0 110.786 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.408 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -61.43 -35.32 77.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.457 -179.602 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -82.21 -30.68 30.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.535 ' HD2' HD21 ' A' ' 70' ' ' LEU . 4.4 m-85 -76.02 -40.52 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.569 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.959 ' HA ' HD21 ' A' ' 67' ' ' LEU . 4.2 ptm85 -53.4 -30.16 38.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 111.081 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -80.8 -15.18 57.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.468 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -95.48 23.5 5.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.783 0.325 . . . . 0.0 111.475 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.659 HG12 ' H ' ' A' ' 58' ' ' GLY . 14.1 t -98.99 -83.94 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.041 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.604 HG23 ' C ' ' A' ' 56' ' ' VAL . 2.5 p 88.06 4.51 0.27 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.096 0.558 . . . . 0.0 111.605 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.659 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -86.92 -179.85 48.8 Favored Glycine 0 C--N 1.331 0.302 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.46 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 3.7 pm0 -67.45 162.71 53.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 117.817 0.809 . . . . 0.0 110.717 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 5.3 Cg_endo -47.09 -32.32 13.25 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.751 2.301 . . . . 0.0 112.699 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.47 -47.96 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.488 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -35.89 82.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.469 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HA ' HG11 ' A' ' 56' ' ' VAL . 4.5 ttm180 -70.85 -49.85 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.743 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -36.11 77.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -64.73 -47.33 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.507 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.35 -53.0 59.45 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.727 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.959 HD21 ' HA ' ' A' ' 53' ' ' ARG . 3.4 mm? -53.53 -31.95 48.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.648 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -71.96 -41.64 67.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -69.32 -37.38 77.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.251 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.535 HD21 ' HD2' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -66.87 -45.42 78.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.144 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -43.14 98.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.516 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -62.53 -49.45 75.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.774 ' HG2' HD21 ' A' ' 15' ' ' LEU . 1.7 mt-10 -60.16 -43.8 95.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.425 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 HD11 ' A' ' 49' ' ' ILE . 5.1 mt -59.96 -43.85 94.81 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.411 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -64.79 -36.4 84.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 12.0 m -67.97 -39.53 83.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.362 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.466 HD11 HD23 ' A' ' 15' ' ' LEU . 51.4 mt -79.46 -37.13 37.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.362 0.601 . . . . 0.0 109.965 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.545 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -76.07 -26.35 56.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.196 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.527 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.4 m-20 -58.47 -53.91 61.31 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.113 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 31.7 Cg_endo -63.8 -31.37 68.38 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 121.826 1.684 . . . . 0.0 111.964 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.782 ' CD2' HD22 ' A' ' 22' ' ' LEU . 10.9 t80 -74.34 -49.75 21.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.241 0.543 . . . . 0.0 111.141 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 tt -73.08 -35.09 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.597 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 86' ' ' ARG . . . -76.74 -37.95 55.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 110.721 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -70.9 -35.04 72.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.947 179.295 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.542 ' O ' HD12 ' A' ' 89' ' ' LEU . 30.3 t80 -73.09 -48.13 38.42 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.869 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.619 ' O ' HD13 ' A' ' 89' ' ' LEU . 11.1 ptm180 -59.75 -41.54 91.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.493 0.663 . . . . 0.0 109.849 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' SER . 2.4 m-20 -70.54 -31.83 69.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.216 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 66.6 t80 -66.85 -52.44 43.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.108 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.707 HD22 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.38 -22.34 57.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.555 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.421 ' N ' HD13 ' A' ' 89' ' ' LEU . 10.9 mmtt -89.08 -14.79 35.51 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.742 0.306 . . . . 0.0 111.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 32.5 t . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 120.887 0.375 . . . . 0.0 111.006 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 120.726 0.298 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.48 81.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.86 -46.54 68.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.667 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -65.29 -37.11 86.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.385 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.87 -48.82 78.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.337 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -45.41 93.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.283 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.523 HG22 HD13 ' A' ' 15' ' ' LEU . 15.7 mt -62.4 -51.26 74.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.331 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.3 m -64.48 -35.83 82.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.298 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.86 71.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.753 0.311 . . . . 0.0 110.617 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.73 -34.63 83.71 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.524 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -68.9 -39.79 79.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 110.213 179.46 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.717 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -62.4 -53.13 59.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.412 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.31 -41.45 79.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.5 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.63 ' CE2' HD12 ' A' ' 22' ' ' LEU . 39.2 t80 -59.67 -40.49 87.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -41.57 82.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.525 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.7 t -63.79 -36.92 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.144 0.497 . . . . 0.0 110.781 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.775 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -79.25 -42.35 26.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.838 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.96 HD21 ' CG ' ' A' ' 81' ' ' PHE . 5.2 tt -65.83 -36.59 83.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.04 -0.42 44.29 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.03 21.31 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.622 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 46.2 mm-40 -76.72 176.77 8.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.713 0.292 . . . . 0.0 110.964 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.02 HG11 HD21 ' A' ' 31' ' ' LEU . 14.6 p -106.46 51.47 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 98.5 m-85 -62.74 85.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.858 0.837 . . . . 0.0 110.447 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 175.27 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.137 -1.392 . . . . 0.0 107.738 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.57 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.7 m-20 -126.15 160.69 29.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 177.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.768 ' C ' HD23 ' A' ' 31' ' ' LEU . . . -124.78 156.87 37.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 119.868 1.213 . . . . 0.0 109.38 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.02 HD21 HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -139.71 6.77 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.696 -0.402 . . . . 0.0 112.052 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 33' ' ' SER . 9.9 p -170.36 161.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.923 0.392 . . . . 0.0 111.719 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.475 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -62.74 165.43 6.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.138 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.87 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.3 pm0 -66.6 -34.95 79.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -37.8 76.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.6 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.906 ' O ' HG23 ' A' ' 40' ' ' VAL . 21.9 t70 -58.67 -53.71 55.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.273 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.775 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -57.91 -43.32 86.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.853 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 34' ' ' GLU . 98.3 t -56.43 -44.68 80.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.999 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.8 m -68.99 -38.03 79.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 110.157 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 36' ' ' ASP . 36.9 t -60.51 -49.6 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.599 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 37' ' ' MET . 21.3 t -59.39 -48.03 88.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.371 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -38.88 90.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.73 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -51.23 68.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.974 0.416 . . . . 0.0 110.348 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.723 ' CH2' HD11 ' A' ' 21' ' ' LEU . 50.7 m0 -58.89 -47.34 85.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.773 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 41.1 ttp -60.69 -45.12 95.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -66.38 -43.26 86.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.016 0.436 . . . . 0.0 110.447 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 52.8 t80 -63.84 -36.2 83.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.721 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -75.1 -46.07 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 50' ' ' ASN . 3.6 tp -61.01 -45.23 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.999 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -67.88 -48.01 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.291 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 47' ' ' PHE . 10.3 t80 -59.96 -46.1 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.636 ' CD2' HD21 ' A' ' 70' ' ' LEU . 16.6 m-85 -68.61 -30.91 69.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.699 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.64 ' HA ' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -53.81 -32.48 52.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -82.03 -32.65 30.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -68.36 50.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.251 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.691 HG11 ' CA ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -147.67 177.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.161 179.696 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.538 ' HB ' ' O ' ' A' ' 56' ' ' VAL . 4.2 t 143.91 -15.97 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.994 0.809 . . . . 0.0 110.827 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . -70.75 0.65 26.91 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.009 -0.615 . . . . 0.0 114.135 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 1.4 pt-20 153.74 149.21 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 117.431 0.615 . . . . 0.0 111.308 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.88 -31.29 84.9 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.363 2.042 . . . . 0.0 110.657 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG3' ' HG3' ' A' ' 65' ' ' LYS . 16.3 tt0 -69.45 -29.79 67.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.579 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.513 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -71.03 -53.15 15.76 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.938 179.123 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.691 ' CA ' HG11 ' A' ' 56' ' ' VAL . 4.3 ptp180 -64.5 -54.9 25.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.464 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.79 -44.66 82.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.966 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 61' ' ' GLN . 3.1 mmpt? -77.39 -36.84 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.705 0.288 . . . . 0.0 111.632 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -66.33 -49.68 66.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 0.0 110.551 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.64 HD21 ' HA ' ' A' ' 53' ' ' ARG . 4.0 mm? -67.09 -42.2 85.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -68.44 -38.68 81.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 110.485 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -69.55 -32.77 71.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.019 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.636 HD21 ' CD2' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -70.16 -51.97 27.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -57.29 -36.48 71.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.685 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -74.51 -50.53 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.708 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.638 ' HB3' HD21 ' A' ' 15' ' ' LEU . 56.3 mm-40 -56.63 -51.04 70.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.076 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.62 -48.75 80.45 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.581 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -57.85 -26.99 62.81 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.467 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -85.25 -23.34 28.26 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.593 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.38 -49.05 11.14 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.234 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.04 -21.82 64.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.277 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.447 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -58.62 -59.57 13.18 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.688 -178.531 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 34.2 Cg_endo -64.24 -25.73 64.7 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.18 1.92 . . . . 0.0 112.355 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.96 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.4 t80 -73.31 -47.53 41.95 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.943 0.402 . . . . 0.0 111.216 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.736 HD11 HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.85 -39.76 94.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.062 -179.65 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.71 -34.76 69.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.042 0.449 . . . . 0.0 110.01 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.401 ' HA ' ' OD2' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -64.79 -45.21 87.26 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.746 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.444 ' CE2' ' CG ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -74.58 -28.74 61.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.897 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -72.21 -41.79 66.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.547 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 91' ' ' SER . 0.1 OUTLIER -69.14 -41.89 76.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 1.5 t80 -70.61 -35.07 72.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.461 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.66 HD12 ' HB3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -74.14 -44.84 52.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.494 179.724 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -26.22 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 73.3 p . . . . . 0 C--N 1.331 -0.224 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 tptp . . . . . 0 N--CA 1.461 0.079 0 CA-C-O 120.743 0.306 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.58 -46.53 66.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.095 0.474 . . . . 0.0 110.341 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.585 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.3 m-20 -73.54 -45.27 54.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.267 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -60.97 -43.57 98.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.343 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.73 -43.66 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.194 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -45.54 85.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.899 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 7' ' ' ASN . 1.7 mp -64.52 -51.5 67.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.306 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -60.43 -41.95 95.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.82 92.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.0 110.291 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.13 -28.57 71.41 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.653 -0.785 . . . . 0.0 111.528 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CG ' ' HB2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -72.21 -39.83 68.28 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.638 0.256 . . . . 0.0 110.865 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.902 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -71.13 -43.23 68.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.76 0.314 . . . . 0.0 110.961 -179.62 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.561 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 5.1 tt0 -63.58 -44.3 94.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.318 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.873 ' CE2' HD11 ' A' ' 22' ' ' LEU . 10.4 t80 -64.8 -43.53 92.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.738 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 p -63.18 -41.67 99.24 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 16' ' ' LYS . 5.3 t -69.74 -41.25 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.309 0.576 . . . . 0.0 110.238 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.836 HD11 ' CH2' ' A' ' 44' ' ' TRP . 2.8 tp -61.03 -49.05 78.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.025 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.873 HD11 ' CE2' ' A' ' 18' ' ' PHE . 90.3 mt -69.26 -31.9 70.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.949 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.496 ' C ' ' H ' ' A' ' 25' ' ' GLN . 18.7 m-80 -84.06 -32.2 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.585 ' HG3' HG12 ' A' ' 20' ' ' VAL . 6.3 mt-30 -59.28 24.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.496 ' H ' ' C ' ' A' ' 23' ' ' ASN . 15.8 mm-40 -88.07 176.78 7.14 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.894 -0.504 . . . . 0.0 109.945 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 26' ' ' VAL . 35.4 m -102.45 50.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 31.5 m-85 -62.93 101.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.388 0.613 . . . . 0.0 110.841 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -170.01 -46.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.785 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.703 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -126.47 101.93 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.284 178.626 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.705 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . . . -71.05 115.41 10.16 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 122.236 1.017 . . . . 0.0 113.109 -175.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 29' ' ' ASP . 0.6 OUTLIER 179.69 160.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 113.272 -1.786 . . . . 0.0 107.941 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.7 p 126.43 -51.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.203 0.601 . . . . 0.0 110.728 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 3.4 t 150.44 129.13 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.929 0.491 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.578 ' HB2' HD21 ' A' ' 89' ' ' LEU . 42.1 tt0 -74.63 -47.19 33.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.969 0.414 . . . . 0.0 111.526 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -28.95 67.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.254 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.881 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.2 m-20 -63.96 -54.58 32.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 0.0 110.137 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.457 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.94 -50.29 73.86 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.632 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 34' ' ' GLU . 53.8 t -56.28 -44.68 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.0 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.577 HG22 ' OD2' ' A' ' 43' ' ' ASP . 45.5 m -63.17 -35.73 81.28 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.416 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 36' ' ' ASP . 45.6 t -62.48 -49.13 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.753 HG22 ' CE2' ' A' ' 81' ' ' PHE . 47.0 t -59.68 -48.85 85.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.759 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -43.59 96.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.757 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.577 ' OD2' HG22 ' A' ' 39' ' ' THR . 0.9 OUTLIER -60.86 -50.66 72.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.836 ' CH2' HD11 ' A' ' 21' ' ' LEU . 45.8 m0 -59.39 -48.62 80.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.964 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.921 ' HG3' HD12 ' A' ' 74' ' ' LEU . 6.5 ttp -55.24 -48.98 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.301 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -62.82 -42.41 99.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -63.86 -33.57 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -69.84 -49.62 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.79 -50.99 77.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -59.76 -43.72 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.367 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -66.47 -49.6 66.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 111.153 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -61.68 -33.63 74.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.41 -38.77 69.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -84.35 -0.61 53.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.579 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.91 30.25 5.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.716 0.293 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' A' ' 63' ' ' ARG . 1.3 t -143.14 118.22 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -160.86 56.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . -135.07 10.56 4.47 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.644 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 1.3 pt-20 147.6 144.62 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.556 0 C-N-CA 123.571 0.748 . . . . 0.0 110.691 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.94 -28.17 76.59 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.217 1.944 . . . . 0.0 110.725 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -71.1 -33.78 70.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.169 178.56 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.644 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -70.69 -41.47 71.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.429 179.251 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HA ' HG11 ' A' ' 56' ' ' VAL . 16.4 mtm180 -73.37 -55.85 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.063 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.56 -41.24 89.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -76.86 -37.19 56.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.881 -179.053 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -74.56 -37.13 63.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.966 0.412 . . . . 0.0 110.769 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.0 mt -72.08 -38.59 69.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.202 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -68.45 -39.95 81.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.94 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -33.84 75.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.827 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.469 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.68 -52.1 48.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.223 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -58.85 -37.19 75.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.078 0.466 . . . . 0.0 110.354 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -70.77 -46.58 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.697 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 7.8 pt-20 -68.57 -22.89 64.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.741 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.921 HD12 ' HG3' ' A' ' 45' ' ' MET . 0.1 OUTLIER -79.82 -48.38 13.64 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.957 178.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 55.5 m-80 -67.06 -25.93 66.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.6 m -83.29 -33.14 26.03 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.94 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.4 -33.25 25.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.082 0.467 . . . . 0.0 110.262 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.6 -21.21 38.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.136 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.526 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -59.12 -52.25 76.01 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 -178.498 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 42.9 Cg_endo -68.73 -31.2 26.25 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 121.97 1.78 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.776 ' CD2' HD22 ' A' ' 22' ' ' LEU . 1.7 t80 -71.92 -46.36 57.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.476 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.6 mt -69.69 -39.77 76.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.334 -0.394 . . . . 0.0 112.002 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.08 -35.13 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.019 0.438 . . . . 0.0 110.411 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -67.17 -38.11 84.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.343 179.537 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 37' ' ' MET . 8.0 t80 -71.18 -44.37 65.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.708 0.289 . . . . 0.0 111.216 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -54.46 46.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.027 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -62.3 -38.6 90.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.091 0.472 . . . . 0.0 110.241 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.705 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 26.5 t80 -64.08 -41.72 97.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 34' ' ' GLU . 15.0 tp -74.3 -33.19 63.13 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -89.89 -18.65 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.714 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.645 0.26 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.4 -38.19 52.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.971 0.415 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -72.36 -46.61 54.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.766 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -34.12 76.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.593 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -68.95 -44.08 73.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.116 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.521 HD21 ' CD1' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -67.24 -45.17 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.85 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.412 HD11 ' HB1' ' A' ' 66' ' ' ALA . 31.2 mm -63.46 -51.11 74.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.744 0.307 . . . . 0.0 110.749 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 t -65.43 -39.41 92.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.05 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.094 0.473 . . . . 0.0 110.229 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.01 -39.1 59.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.202 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.759 HD11 ' HG3' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -68.17 -39.66 82.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.562 0.22 . . . . 0.0 110.866 179.535 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -65.67 -53.21 44.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.958 0.408 . . . . 0.0 110.472 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.26 -37.3 72.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.282 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.657 ' CE2' HD11 ' A' ' 22' ' ' LEU . 3.4 t80 -68.66 -42.7 77.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.552 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.4 p -61.56 -40.17 93.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.806 0.336 . . . . 0.0 111.101 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 16' ' ' LYS . 8.7 t -71.56 -37.54 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.403 0.621 . . . . 0.0 109.767 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.96 HD11 ' CH2' ' A' ' 44' ' ' TRP . 10.6 tp -61.55 -49.2 77.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.725 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.753 HD22 ' HD2' ' A' ' 81' ' ' PHE . 52.3 mt -69.57 -32.7 71.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.066 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 25' ' ' GLN . 12.9 m-20 -76.84 -34.27 57.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -59.72 21.12 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -81.47 176.64 9.52 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.746 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 26' ' ' VAL . 21.9 t -106.11 50.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.776 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 25' ' ' GLN . 30.4 m-85 -62.6 96.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.782 0.801 . . . . 0.0 110.406 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -171.24 -69.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.421 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.32 92.13 3.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.591 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.689 ' C ' HD22 ' A' ' 31' ' ' LEU . . . -72.88 101.99 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.141 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.689 HD22 ' C ' ' A' ' 30' ' ' ALA . 3.9 mm? -135.27 38.88 2.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.995 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.698 HG22 ' N ' ' A' ' 33' ' ' SER . 0.9 OUTLIER -120.35 -91.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.47 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.698 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -167.39 138.49 3.06 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.926 0.393 . . . . 0.0 111.051 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.748 ' OE2' HD12 ' A' ' 89' ' ' LEU . 4.8 tp10 -74.74 -47.15 32.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.666 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.67 -33.24 75.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.558 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.902 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -61.84 -55.51 29.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.35 . . . . 0.0 110.148 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 37.2 tpp -57.78 -48.78 78.69 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.7 t -56.01 -45.16 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.953 -177.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 m -63.52 -34.74 78.44 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.299 -0.561 . . . . 0.0 110.455 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 36' ' ' ASP . 26.0 t -62.15 -51.18 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.215 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.444 HG22 ' CE2' ' A' ' 81' ' ' PHE . 39.8 t -59.42 -49.29 84.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -44.73 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.11 -41.16 91.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.192 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.96 ' CH2' HD11 ' A' ' 21' ' ' LEU . 31.3 m0 -66.0 -49.14 68.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.879 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.417 ' O ' HD13 ' A' ' 49' ' ' ILE . 30.0 ttm -54.1 -49.01 70.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.325 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -42.18 98.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.947 0.403 . . . . 0.0 110.357 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.487 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 67.6 t80 -60.74 -36.28 78.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.825 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -69.06 -49.17 59.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.182 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.475 HD11 HD12 ' A' ' 74' ' ' LEU . 1.7 mp -57.03 -53.22 45.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.698 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -67.19 -33.46 75.44 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 47' ' ' PHE . 23.3 t80 -73.14 -49.57 27.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.873 0.368 . . . . 0.0 111.206 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.521 ' CD1' HD21 ' A' ' 10' ' ' LEU . 1.3 m-85 -62.2 -35.17 78.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 56' ' ' VAL . 1.8 ttp180 -56.04 -40.31 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -88.51 -6.41 57.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.119 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' OE1' ' CD2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -96.64 37.39 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.965 0.412 . . . . 0.0 111.099 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.851 HG12 ' NH1' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -131.66 -162.16 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 -179.629 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER 175.2 17.49 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 179.196 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.692 ' H ' ' CD ' ' A' ' 63' ' ' ARG . . . -101.67 -167.02 27.37 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 63' ' ' ARG . 1.9 mp0 -59.59 160.34 14.43 Favored Pre-proline 0 CA--C 1.528 0.099 0 CA-C-N 117.567 0.684 . . . . 0.0 111.194 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.05 -30.04 32.77 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.76 2.307 . . . . 0.0 112.971 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -73.07 -44.92 59.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.48 ' HB3' HH21 ' A' ' 63' ' ' ARG . 1.0 OUTLIER -67.67 -42.4 82.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.619 179.512 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.851 ' NH1' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -65.74 -43.8 87.91 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.473 179.332 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.43 -39.89 81.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.138 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -47.58 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.753 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -65.57 -52.08 54.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 53' ' ' ARG . 1.8 mm? -48.53 -39.0 21.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.409 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 3.1 mt-30 -65.78 -50.5 64.49 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.016 0.436 . . . . 0.0 110.361 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.98 -38.02 78.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.296 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -47.48 85.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.176 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -57.73 -50.99 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.186 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 68' ' ' GLN . 2.3 mm100 -57.78 -50.33 73.61 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.81 0.338 . . . . 0.0 111.05 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.759 ' HG3' HD11 ' A' ' 15' ' ' LEU . 8.4 mm-40 -55.37 -49.51 72.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.812 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.494 HD22 ' CZ ' ' A' ' 18' ' ' PHE . 46.5 mt -57.14 -43.35 82.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -65.88 -48.83 70.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.171 0.51 . . . . 0.0 109.841 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.426 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 32.6 m -58.38 -34.08 70.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.391 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -80.09 -48.43 13.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.711 0.767 . . . . 0.0 109.165 178.86 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.43 -28.87 70.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.373 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.453 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -58.31 -58.61 17.65 Favored Pre-proline 0 CA--C 1.53 0.184 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 14.1 Cg_endo -57.48 -31.85 92.52 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 121.756 1.637 . . . . 0.0 112.113 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.753 ' HD2' HD22 ' A' ' 22' ' ' LEU . 2.0 t80 -70.68 -39.79 73.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.566 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.53 -39.61 58.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.452 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.26 66.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.785 0.326 . . . . 0.0 110.688 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 81' ' ' PHE . 13.7 ptmm? -70.96 -37.72 72.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.583 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.29 -39.51 74.81 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.738 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -54.54 37.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.947 0.404 . . . . 0.0 110.033 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -35.82 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.87 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 3.1 t80 -60.92 -49.88 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.748 HD12 ' OE2' ' A' ' 34' ' ' GLU . 58.4 mt -74.1 -26.88 60.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.762 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -88.29 -10.48 49.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.272 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.0 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.384 -179.607 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.461 ' HA ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.94 82.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.349 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 11' ' ' ILE . 65.1 t30 -67.84 -46.52 71.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' CG ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -68.41 -39.68 81.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.86 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.528 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 52' ' ' TYR . 1.3 mm? -62.38 -45.78 91.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.43 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 7' ' ' ASN . 16.0 mt -62.96 -51.59 70.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.531 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -67.47 -36.91 82.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.563 0.22 . . . . 0.0 111.222 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.664 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -64.96 -44.65 88.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.967 0.413 . . . . 0.0 110.512 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.18 -34.42 75.54 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.118 -1.039 . . . . 0.0 111.288 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.634 HD11 ' HG3' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -71.75 -40.5 69.31 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 121.236 -0.186 . . . . 0.0 110.656 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.883 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -65.87 -43.3 88.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.835 0.35 . . . . 0.0 110.142 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -40.86 96.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.985 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.826 ' CD2' HD11 ' A' ' 22' ' ' LEU . 7.8 t80 -59.11 -49.09 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.809 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -42.55 90.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.462 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.7 t -63.02 -35.64 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.06 0.457 . . . . 0.0 110.467 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.027 HD11 ' CH2' ' A' ' 44' ' ' TRP . 1.1 tp -72.54 -45.42 59.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.469 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.826 HD11 ' CD2' ' A' ' 18' ' ' PHE . 26.3 mt -63.08 -35.27 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.734 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -6.38 57.13 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -97.22 48.55 1.04 Allowed 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.605 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.8 mp0 -110.96 176.62 4.95 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 26' ' ' VAL . 19.5 t -93.34 50.06 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 60.6 m-85 -63.54 85.62 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.748 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -159.12 -53.93 0.06 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.969 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -125.79 92.08 3.53 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.256 0.55 . . . . 0.0 111.611 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.788 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -73.32 166.11 23.79 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -177.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.73 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 4.0 mm? 118.2 71.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.287 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 31' ' ' LEU . 4.3 p 144.58 -52.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 122.977 0.511 . . . . 0.0 111.348 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 37' ' ' MET . 39.0 m -55.33 -21.76 16.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.313 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.623 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.62 -48.27 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.216 -179.341 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -72.99 -53.23 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.294 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.942 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.7 t70 -57.38 -52.21 66.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.47 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.548 ' HB2' ' O ' ' A' ' 33' ' ' SER . 4.0 ttm -57.72 -42.56 84.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.753 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' GLU . 2.4 t -56.68 -45.2 82.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.77 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.13 -37.39 78.29 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 121.074 0.464 . . . . 0.0 110.023 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 36' ' ' ASP . 47.0 t -58.59 -51.59 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.717 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.06 -45.09 96.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.448 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.73 -41.74 98.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.674 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -48.01 70.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.77 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.027 ' CH2' HD11 ' A' ' 21' ' ' LEU . 24.7 m0 -58.75 -48.63 80.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.568 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 31.3 ttm -57.01 -48.08 79.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -61.23 -42.75 99.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -61.92 -34.48 76.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.015 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -72.24 -46.55 55.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.53 -49.94 78.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.045 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -64.72 -47.0 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -60.11 -49.41 77.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.606 ' CE1' HD12 ' A' ' 10' ' ' LEU . 2.9 m-85 -63.22 -31.89 73.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.66 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.77 -37.82 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.784 179.513 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -87.84 -21.75 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.81 31.43 0.96 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.804 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.767 HG11 ' HB2' ' A' ' 63' ' ' ARG . 21.4 t -66.97 -111.8 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 56' ' ' VAL . 21.9 p 126.61 -33.91 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.281 1.032 . . . . 0.0 110.855 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.77 -178.16 42.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.113 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.526 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.5 mp0 -72.26 172.61 7.03 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 122.239 0.216 . . . . 0.0 110.993 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.1 Cg_endo -44.99 -35.75 10.52 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.739 2.293 . . . . 0.0 112.623 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -70.97 -48.18 54.78 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -33.03 73.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.285 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.767 ' HB2' HG11 ' A' ' 56' ' ' VAL . 24.3 ttm180 -74.36 -55.66 5.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.924 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.76 -36.83 72.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.165 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -72.92 -47.13 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.15 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.6 98.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.771 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 63' ' ' ARG . 3.4 mm? -67.73 -41.74 83.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.204 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -69.83 -31.99 70.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.777 0.322 . . . . 0.0 110.759 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -71.69 -36.73 70.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.113 0.482 . . . . 0.0 110.193 179.417 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 HD11 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -65.82 -51.54 58.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.688 178.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -57.62 -43.66 84.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.576 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 6.1 pt20 -64.38 -39.46 93.9 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.59 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.634 ' HG3' HD11 ' A' ' 15' ' ' LEU . 45.1 mm-40 -64.83 -41.92 95.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.522 HD11 HD12 ' A' ' 70' ' ' LEU . 80.1 mt -65.71 -45.09 84.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.0 -35.92 82.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.014 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.496 HG23 HD23 ' A' ' 77' ' ' LEU . 1.6 t -80.04 -25.46 40.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.349 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.496 HD23 HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -80.29 -43.84 20.6 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 179.263 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.8 -19.64 57.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.574 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -58.85 -54.47 56.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.059 -178.607 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 32.2 Cg_endo -65.2 -32.12 52.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 121.931 1.754 . . . . 0.0 112.041 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.72 ' HD2' HD22 ' A' ' 22' ' ' LEU . 1.9 t80 -71.0 -42.31 69.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.99 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.657 ' O ' HD23 ' A' ' 82' ' ' LEU . 6.9 tt -71.42 -40.18 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.456 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' A' ' 86' ' ' ARG . . . -74.95 -33.25 61.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.101 0.477 . . . . 0.0 110.482 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -68.12 -39.74 82.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.135 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.436 ' O ' HD23 ' A' ' 89' ' ' LEU . 1.2 t80 -70.67 -47.84 57.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.461 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -57.45 -42.19 82.02 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.398 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -38.65 91.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.1 t80 -60.21 -51.23 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.421 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.788 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -74.33 -25.53 59.6 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.859 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 1.9 mptt -87.26 -34.13 19.03 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.05 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.635 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.872 0.368 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.07 -34.87 31.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -40.36 88.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.206 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -68.62 -31.12 70.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.466 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 13.5 t0 -65.85 -49.14 69.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.998 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.585 HD11 ' OE1' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -63.64 -44.02 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.947 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.646 HG22 HD13 ' A' ' 15' ' ' LEU . 63.3 mt -61.11 -50.63 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.505 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.6 t -58.95 -42.19 89.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.326 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.57 91.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 110.399 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.22 -33.81 83.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.658 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -67.85 -39.5 83.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.339 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 tttm -61.74 -53.12 60.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.232 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.53 -43.04 84.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.424 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -56.27 -44.22 79.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.191 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -66.93 -38.91 87.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.341 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 16' ' ' LYS . 3.6 t -62.59 -41.35 91.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.21 0.528 . . . . 0.0 110.232 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.963 HD11 ' CH2' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -74.44 -38.62 62.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.666 179.048 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -56.48 -36.58 69.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.478 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -98.68 -13.36 20.32 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 21' ' ' LEU . 5.3 pt20 -65.16 -2.06 2.64 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.71 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 46.3 mm-40 -76.23 176.53 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.182 -0.324 . . . . 0.0 110.448 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 m -102.47 50.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.71 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 94.0 m-85 -62.63 85.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.347 0.594 . . . . 0.0 111.432 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -134.56 -68.41 0.54 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.485 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.751 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -126.32 126.89 44.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.386 178.625 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.56 94.86 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.296 0.57 . . . . 0.0 112.457 -177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -140.75 45.59 1.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.227 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.721 HG13 ' H ' ' A' ' 33' ' ' SER . 1.1 p -133.41 -76.13 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.465 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.721 ' H ' HG13 ' A' ' 32' ' ' VAL . 0.9 OUTLIER 174.3 135.2 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.769 0.319 . . . . 0.0 110.753 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -74.77 -47.08 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.606 -179.568 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.15 -28.95 66.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.911 ' O ' HG23 ' A' ' 40' ' ' VAL . 19.3 m-20 -63.74 -55.45 23.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.474 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 40.0 tpp -57.88 -48.58 79.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 34' ' ' GLU . 64.0 t -56.62 -44.64 81.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.849 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.2 m -63.67 -33.26 75.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 36' ' ' ASP . 48.6 t -69.08 -41.11 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.703 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.537 HG22 ' CE2' ' A' ' 81' ' ' PHE . 24.2 t -59.51 -55.58 22.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.086 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 45' ' ' MET . 0.0 OUTLIER -61.9 -34.7 76.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.374 179.744 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -46.07 89.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.963 ' CH2' HD11 ' A' ' 21' ' ' LEU . 43.3 m0 -65.53 -49.02 70.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.681 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 27.5 ptm -57.72 -45.93 85.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.544 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.32 -40.15 89.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -66.28 -36.18 82.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -67.57 -46.53 72.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 74' ' ' LEU . 31.6 mm -60.22 -56.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.3 -35.92 70.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.431 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -73.48 -49.51 26.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 111.781 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.429 ' HA ' ' CG ' ' A' ' 55' ' ' GLN . 8.4 m-85 -60.02 -31.25 69.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.798 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.6 ttp180 -54.54 -31.93 57.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 111.236 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -77.6 -22.56 50.66 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.585 ' OE1' HD11 ' A' ' 10' ' ' LEU . 7.6 pt20 -96.78 28.4 3.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.032 0.444 . . . . 0.0 111.38 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.767 HG12 ' H ' ' A' ' 58' ' ' GLY . 48.5 t -81.27 -91.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.002 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.53 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 3.6 m 96.1 -16.79 0.08 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.964 0.506 . . . . 0.0 111.395 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.767 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -83.16 177.95 53.0 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.13 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.4 mp0 -76.51 172.57 9.22 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 117.723 0.761 . . . . 0.0 110.794 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.6 Cg_endo -44.94 -32.17 6.13 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.834 2.356 . . . . 0.0 113.024 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 25.8 tt0 -73.34 -46.02 51.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.219 0.533 . . . . 0.0 109.741 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.71 -37.07 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.941 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.53 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -70.91 -54.12 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.943 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -35.58 81.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.377 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 9.6 tptm -68.16 -47.55 67.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.671 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.88 -52.29 45.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.267 0.556 . . . . 0.0 109.551 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 63' ' ' ARG . 4.4 mm? -55.96 -32.78 64.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.403 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -50.3 31.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.41 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -62.91 -33.43 75.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.99 179.408 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.464 HD12 HD11 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -63.61 -50.44 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.094 179.288 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -46.01 91.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.733 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -64.36 -38.48 91.2 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.373 -179.321 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB3' HD11 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -69.38 -41.53 76.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.712 0.291 . . . . 0.0 110.218 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.496 HD12 HD11 ' A' ' 49' ' ' ILE . 61.2 mt -60.37 -42.89 96.72 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -64.73 -35.49 81.24 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.9 m -68.81 -41.11 79.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.226 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -76.64 -37.81 55.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.263 0.554 . . . . 0.0 110.012 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.41 61.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.81 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.483 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -59.06 -57.5 26.65 Favored Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.361 -178.606 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -59.99 -31.3 93.35 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.034 1.823 . . . . 0.0 112.357 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CE2' HG22 ' A' ' 41' ' ' VAL . 1.2 t80 -67.54 -43.05 81.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.928 0.394 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -46.23 83.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.44 75.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.439 . . . . 0.0 110.018 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -61.96 -44.33 96.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.004 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 37' ' ' MET . 4.4 t80 -67.22 -38.17 84.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.57 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -61.57 -51.09 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.712 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.35 -37.1 86.3 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.308 0.575 . . . . 0.0 110.153 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -63.71 -40.78 97.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.581 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 34' ' ' GLU . 8.2 tp -74.3 -35.74 63.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.186 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 13.8 mmtp -68.48 -27.33 66.06 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.473 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.183 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.81 -44.8 74.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.216 0.531 . . . . 0.0 111.072 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.659 ' HA ' HD12 ' A' ' 10' ' ' LEU . 25.3 p30 -72.17 -34.19 68.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.351 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.487 ' HA ' HG22 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -69.43 -29.5 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.379 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.12 -43.64 56.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.698 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -79.05 -33.91 44.26 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.554 179.162 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.552 ' O ' HD13 ' A' ' 15' ' ' LEU . 4.7 tt -64.62 -52.04 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.558 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.507 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 74.2 p -66.67 -36.95 83.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.535 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.651 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . -65.63 -46.07 80.67 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.65 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -69.15 -31.85 72.29 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.504 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD21 ' HB3' ' A' ' 73' ' ' GLU . 5.1 mp -73.88 -40.32 63.29 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.799 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.802 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -63.47 -53.11 57.3 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 2.2 tp10 -57.8 -41.62 82.53 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.016 0.436 . . . . 0.0 109.92 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.778 ' CE2' HD13 ' A' ' 22' ' ' LEU . 33.5 t80 -57.97 -45.16 87.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.353 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 57.6 p -66.2 -39.17 89.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.714 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -66.72 -38.96 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.211 0.529 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.964 HD13 ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -76.95 -41.23 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.575 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.964 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -72.57 -42.29 64.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.785 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 19' ' ' SER . 1.4 t-20 -69.64 -28.68 66.1 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.19 6.32 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 1.4 mp0 -70.98 146.88 49.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.0 m -84.99 127.11 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.322 . . . . 0.0 111.834 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' ' CD2' ' A' ' 85' ' ' TYR . 19.2 m-85 -132.2 85.42 2.24 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.306 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -141.23 -55.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.295 0.569 . . . . 0.0 109.54 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.535 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -126.17 110.16 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.418 178.487 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.16 142.65 49.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.904 0.859 . . . . 0.0 113.21 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.783 HD22 ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -174.91 -28.34 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.293 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.783 ' N ' HD22 ' A' ' 31' ' ' LEU . 7.6 p -55.17 -18.6 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 1.1 t 85.55 154.94 0.08 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.953 0.406 . . . . 0.0 110.709 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.789 ' O ' HG23 ' A' ' 38' ' ' VAL . 27.8 tt0 -72.55 -47.14 50.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.517 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -34.47 75.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.719 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.84 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -63.31 -56.21 18.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 110.451 179.802 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.552 ' HG3' ' CE2' ' A' ' 85' ' ' TYR . 1.1 tmt? -60.25 -44.45 95.24 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 34' ' ' GLU . 75.8 t -56.52 -44.39 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.389 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.4 m -66.55 -29.66 69.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.504 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 36' ' ' ASP . 60.1 t -65.36 -52.21 54.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.207 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.2 t -66.0 -35.83 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.608 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -43.04 85.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.497 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.513 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 3.6 p30 -68.98 -40.07 79.04 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.096 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.677 ' CZ2' HD21 ' A' ' 21' ' ' LEU . 48.8 m0 -62.71 -48.76 77.84 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.01 0.433 . . . . 0.0 110.369 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.569 ' HG3' HD13 ' A' ' 74' ' ' LEU . 21.1 ttm -59.62 -43.11 93.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.653 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.407 ' O ' HG22 ' A' ' 49' ' ' ILE . 3.3 m-80 -66.85 -40.53 87.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.86 0.362 . . . . 0.0 110.66 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -66.87 -44.85 79.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.261 0.553 . . . . 0.0 109.72 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -64.14 -49.27 72.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.536 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.001 HD12 HD23 ' A' ' 70' ' ' LEU . 1.1 tp -60.64 -43.71 95.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.974 0.416 . . . . 0.0 110.722 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.424 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 24.4 m-80 -66.28 -26.4 67.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -79.66 -40.21 29.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 111.435 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CD2' HD11 ' A' ' 70' ' ' LEU . 11.3 m-85 -80.74 -29.97 36.25 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.797 ' HB3' HD11 ' A' ' 67' ' ' LEU . 4.3 ptm85 -59.92 -36.88 77.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.163 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -78.9 0.13 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.639 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.54 28.9 8.38 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.14 0.495 . . . . 0.0 110.232 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 53' ' ' ARG . 16.8 t -91.68 -90.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.845 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.61 ' O ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER 40.51 116.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 179.403 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 148.43 -8.33 1.02 Allowed Glycine 0 CA--C 1.523 0.551 0 C-N-CA 120.05 -1.072 . . . . 0.0 113.283 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.501 ' CG ' ' HB2' ' A' ' 62' ' ' GLU . 4.5 pt-20 149.42 144.0 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 123.219 0.607 . . . . 0.0 110.979 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.62 -37.03 98.29 Favored 'Trans proline' 0 CA--C 1.514 -0.524 0 C-N-CA 122.342 2.028 . . . . 0.0 110.627 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.571 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -63.78 -29.95 71.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.413 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.501 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -71.74 -45.2 62.47 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.023 178.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.733 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -66.14 -54.99 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.101 179.433 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -57.42 -42.15 81.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.978 -179.121 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -77.24 -43.01 35.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.0 111.678 -179.543 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -64.97 -42.71 94.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.929 0.395 . . . . 0.0 111.234 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 53' ' ' ARG . 4.3 mm? -76.43 -35.4 58.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 2.2 tp-100 -71.42 -41.9 68.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.378 . . . . 0.0 110.101 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 2.8 tp10 -66.06 -40.61 91.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.69 179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.001 HD23 HD12 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -62.26 -51.55 67.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.091 179.097 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -60.69 -32.75 71.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.526 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 76' ' ' THR . 4.0 tp-100 -69.41 -46.73 66.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.255 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.723 ' HB3' HD21 ' A' ' 15' ' ' LEU . 5.4 mm-40 -61.21 -44.49 97.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.236 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.569 HD13 ' HG3' ' A' ' 45' ' ' MET . 12.1 mt -63.94 -45.3 89.81 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.238 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -62.57 -36.13 81.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.967 0.413 . . . . 0.0 110.016 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 72' ' ' GLN . 22.9 p -72.21 -34.05 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.46 -40.87 28.81 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.125 0.488 . . . . 0.0 110.226 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.61 -15.06 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.544 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.454 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -59.0 -64.2 3.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.629 -178.755 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 79' ' ' ASN . 53.8 Cg_endo -68.66 -19.82 41.28 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.225 1.95 . . . . 0.0 112.113 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.77 ' CG ' HD21 ' A' ' 22' ' ' LEU . 7.1 t80 -73.99 -50.6 19.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.526 HD11 HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -62.15 -38.47 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.057 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.21 -43.67 77.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.504 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -42.91 88.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.738 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.783 ' OH ' HG11 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -72.69 -48.92 35.05 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.259 -179.792 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HA ' HD21 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -58.55 -41.65 86.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.969 0.414 . . . . 0.0 110.642 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 91' ' ' SER . 0.7 OUTLIER -71.87 -32.55 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.176 179.456 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 2.0 t80 -71.12 -42.96 68.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 86' ' ' ARG . 2.7 pp -74.26 -35.14 63.78 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 -14.43 34.52 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 9.0 t . . . . . 0 C--N 1.33 -0.249 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.288 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.67 -30.65 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.446 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 23.2 p-10 -66.82 -46.61 74.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.112 0.482 . . . . 0.0 109.972 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 4.4 ttmm -67.22 -36.6 82.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.862 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.44 -37.3 83.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.677 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.543 HD11 ' CE1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -67.2 -45.58 76.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.497 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.642 HD11 ' HB1' ' A' ' 66' ' ' ALA . 30.7 mm -62.6 -51.33 73.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.738 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -40.26 90.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.687 0.28 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.87 95.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 110.181 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.28 91.38 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.242 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.816 HD21 ' CD ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -66.9 -39.51 87.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.565 179.327 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.753 ' O ' HG23 ' A' ' 20' ' ' VAL . 15.0 tttp -70.67 -53.08 17.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.91 -40.73 63.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.21 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CZ ' HD22 ' A' ' 74' ' ' LEU . 5.7 t80 -64.23 -47.79 78.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.784 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 p -55.25 -39.87 70.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.821 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.6 t -70.68 -35.68 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.246 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.487 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 22.9 tp -60.61 -49.28 78.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.364 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.747 HD22 ' CD2' ' A' ' 81' ' ' PHE . 14.7 mt -69.83 -40.74 75.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.644 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.4 -40.38 89.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.716 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -78.0 27.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.78 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 8.5 tp60 -89.75 156.13 18.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 110.305 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.0 t -63.38 112.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 70.4 m-85 -140.06 85.3 2.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.222 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.45 ' N ' ' CE2' ' A' ' 88' ' ' PHE . 5.2 m-80 -156.82 -62.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.05 0.452 . . . . 0.0 110.673 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.486 ' O ' HD23 ' A' ' 31' ' ' LEU . 12.3 t70 -126.27 99.55 5.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.238 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . . . -70.98 100.79 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.095 0.95 . . . . 0.0 112.727 -176.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.517 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.4 pt? -130.75 37.55 3.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.145 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.498 HG22 ' N ' ' A' ' 33' ' ' SER . 7.2 p -142.61 158.52 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.498 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -65.32 151.74 45.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.771 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.718 ' O ' HG23 ' A' ' 38' ' ' VAL . 6.6 tp10 -74.03 -47.03 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -60.38 -28.99 68.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.349 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.861 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -61.27 -56.36 21.37 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.71 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.516 ' O ' HG23 ' A' ' 41' ' ' VAL . 13.9 tmm? -58.26 -46.59 85.7 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 34' ' ' GLU . 60.6 t -56.56 -44.69 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.273 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.8 m -63.22 -38.01 89.5 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.161 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 36' ' ' ASP . 21.5 t -60.65 -41.04 86.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.011 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.549 HG22 ' CE2' ' A' ' 81' ' ' PHE . 27.1 t -65.89 -51.75 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.55 -42.7 97.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.577 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.58 -48.15 76.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.487 ' CZ3' HD11 ' A' ' 21' ' ' LEU . 17.7 m0 -59.83 -49.11 78.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.007 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.491 ' O ' HD12 ' A' ' 49' ' ' ILE . 26.6 ttp -56.67 -49.0 76.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 111.225 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -60.41 -43.38 96.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.11 -31.8 73.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.263 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -51.69 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.714 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 45' ' ' MET . 2.1 mp -56.23 -42.29 72.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.804 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.74 -39.86 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.943 0.401 . . . . 0.0 110.94 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -72.55 -33.17 66.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.894 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.855 ' CD2' HD21 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -76.63 -42.94 40.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.581 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' A' ' 54' ' ' GLN . 5.1 ptm180 -51.93 -33.91 39.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.736 0.303 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.413 ' HG3' ' NH1' ' A' ' 53' ' ' ARG . 2.0 mt-30 -81.8 -18.88 42.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.316 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -91.76 28.65 1.73 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.475 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG11 ' HG3' ' A' ' 63' ' ' ARG . 6.7 t -111.81 139.48 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.029 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.07 -1.31 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.473 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.64 169.96 45.58 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.342 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 2.3 pt-20 -61.31 162.12 15.45 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 7.5 Cg_endo -49.26 -29.3 16.77 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.858 2.372 . . . . 0.0 112.4 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.29 -45.93 52.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.038 0.446 . . . . 0.0 110.074 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -72.58 -33.45 66.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.489 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.547 ' HG3' HG11 ' A' ' 56' ' ' VAL . 25.8 ttp85 -67.81 -52.5 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.507 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.07 -42.41 96.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -58.92 -47.24 85.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.642 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -71.22 -26.64 63.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.708 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 63' ' ' ARG . 1.6 mm? -74.79 -39.75 61.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.247 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.81 -41.93 77.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.232 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.56 -41.37 96.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.02 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.855 HD21 ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -59.09 -48.33 82.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.306 179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -57.52 -48.39 79.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.669 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 3.0 tp-100 -58.71 -47.82 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 0.0 110.815 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.816 ' CD ' HD21 ' A' ' 15' ' ' LEU . 11.7 mm-40 -64.39 -23.76 67.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.034 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.458 HD22 ' CZ ' ' A' ' 18' ' ' PHE . 61.4 mt -78.57 -46.37 19.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.872 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -67.51 -27.15 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.884 179.135 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.613 HG22 ' HA ' ' A' ' 73' ' ' GLU . 1.7 t -84.67 -27.92 26.76 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.985 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 5.4 mt -86.27 -32.19 21.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 110.094 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.612 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -81.71 -24.65 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.556 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.577 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.15 -48.02 97.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.844 -177.29 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 29.8 Cg_endo -64.76 -29.42 59.44 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 121.537 1.491 . . . . 0.0 111.546 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.747 ' CD2' HD22 ' A' ' 22' ' ' LEU . 1.3 t80 -68.48 -44.58 74.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.157 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.662 ' C ' HD23 ' A' ' 82' ' ' LEU . 6.5 tt -65.57 -43.48 89.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.198 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.56 -31.46 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.945 0.403 . . . . 0.0 110.511 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 11.2 ttmm -67.0 -40.05 87.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.84 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.497 ' CG ' ' HE2' ' A' ' 37' ' ' MET . 1.1 t80 -75.87 -35.07 60.0 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -63.69 -44.64 93.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.421 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 2.1 t70 -68.92 -39.4 79.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.77 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.874 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 62.2 t80 -63.46 -44.86 93.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.987 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 34' ' ' GLU . 6.5 tp -74.43 -35.96 63.41 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -22.44 45.61 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.98 0.419 . . . . 0.0 111.223 -179.703 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 8.2 t . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.831 0.348 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 1' ' ' SER . . . 75.74 -64.94 0.34 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.97 95.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.57 140.92 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.73 -32.13 8.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.303 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.74 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.64 -41.92 78.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.75 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -35.1 77.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.684 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -44.56 82.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.291 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -68.38 -45.73 71.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 69' ' ' GLU . 6.1 tt -63.71 -51.11 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.408 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.494 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 10.0 t -60.83 -40.77 94.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.72 0.295 . . . . 0.0 110.705 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.66 99.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.187 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.81 -37.38 84.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.349 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.82 HD11 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -68.99 -39.67 79.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.744 0.307 . . . . 0.0 110.638 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.753 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -66.46 -53.14 38.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.44 . . . . 0.0 110.445 179.773 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.36 -40.66 71.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.148 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.695 ' CD2' HD23 ' A' ' 74' ' ' LEU . 12.2 t80 -60.72 -49.02 79.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.65 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -56.0 -38.84 71.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.2 t -69.43 -33.75 58.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.34 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.819 HD22 ' CZ3' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -67.48 -47.48 69.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.542 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.76 HD22 ' CD2' ' A' ' 81' ' ' PHE . 12.4 mt -69.68 -36.79 76.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.261 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 4.0 p-10 -75.68 -33.56 60.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.501 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -60.75 11.83 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -178.563 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 2.3 mp0 -72.02 176.61 4.93 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 122.073 -0.392 . . . . 0.0 109.946 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 26' ' ' VAL . 14.3 p -106.14 50.0 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 91.6 m-85 -63.42 92.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.181 0.515 . . . . 0.0 110.368 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -161.16 -52.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.083 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -126.05 102.22 7.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.765 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.807 ' C ' HD12 ' A' ' 31' ' ' LEU . . . -71.42 108.6 4.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 122.329 1.061 . . . . 0.0 113.534 -175.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.807 HD12 ' C ' ' A' ' 30' ' ' ALA . 6.9 mp -149.39 173.92 13.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 113.164 -1.834 . . . . 0.0 107.112 178.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER 84.25 155.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 118.702 0.683 . . . . 0.0 110.906 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.7 137.37 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.311 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . 25.6 tt0 -67.71 -47.14 70.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.781 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 39' ' ' THR . 0.9 OUTLIER -55.97 -29.31 60.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.934 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -52.72 50.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.0 tpp -61.04 -50.02 75.03 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.64 -44.52 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.959 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 35' ' ' GLU . 20.8 p -61.17 -38.12 85.36 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.285 0.564 . . . . 0.0 110.295 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.546 HG13 ' CZ2' ' A' ' 44' ' ' TRP . 0.9 OUTLIER -62.16 -42.02 93.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.436 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.795 HG22 ' CE2' ' A' ' 81' ' ' PHE . 88.7 t -61.37 -52.99 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.442 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.23 -41.08 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.851 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -45.53 88.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.819 ' CZ3' HD22 ' A' ' 21' ' ' LEU . 40.2 m0 -62.87 -48.63 78.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.402 ' O ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -53.77 -48.82 69.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.278 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -61.89 -42.31 98.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.08 -40.36 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.016 0.436 . . . . 0.0 110.161 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.46 -50.5 58.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.644 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.544 HD11 HD12 ' A' ' 74' ' ' LEU . 34.0 mm -56.82 -49.51 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.948 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.12 -44.69 87.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.229 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -67.21 -49.62 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.097 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.456 ' CE1' HD11 ' A' ' 10' ' ' LEU . 18.7 m-85 -59.49 -38.15 80.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.729 ' HG3' HD21 ' A' ' 67' ' ' LEU . 7.7 ttt85 -54.15 -40.14 67.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.092 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -83.14 -9.0 59.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.588 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -96.76 38.65 1.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.763 0.316 . . . . 0.0 111.066 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.653 HG11 ' HA ' ' A' ' 63' ' ' ARG . 21.5 t -133.58 119.5 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t -108.29 10.65 27.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.539 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.31 175.96 44.79 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.172 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.461 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -66.6 168.94 8.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.882 0.341 . . . . 0.0 110.82 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 9.5 Cg_endo -52.26 -27.91 32.22 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.592 2.194 . . . . 0.0 112.606 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 21.1 mt-30 -73.35 -47.48 41.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.141 0.496 . . . . 0.0 109.76 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -64.47 -38.43 90.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.316 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.653 ' HA ' HG11 ' A' ' 56' ' ' VAL . 25.3 ttm180 -69.1 -50.29 49.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.375 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.15 -45.09 96.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.899 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 1.1 mmmp? -59.26 -47.34 85.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -69.77 -30.26 67.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.49 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.729 HD21 ' HG3' ' A' ' 53' ' ' ARG . 10.7 mt -71.91 -40.32 68.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.781 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -70.97 -39.54 72.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.561 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.583 ' HB3' HD11 ' A' ' 11' ' ' ILE . 2.5 tt0 -68.55 -34.95 76.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.179 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -65.47 -49.07 70.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.891 179.213 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -63.05 -45.99 89.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.38 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.11 -35.0 78.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.951 0.405 . . . . 0.0 110.488 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.82 ' CG ' HD11 ' A' ' 15' ' ' LEU . 6.5 mm-40 -66.91 -38.36 86.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.562 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.695 HD23 ' CD2' ' A' ' 18' ' ' PHE . 25.2 mt -70.51 -36.14 73.59 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.57 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -66.21 -39.66 89.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.982 0.42 . . . . 0.0 110.137 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 73' ' ' GLU . 6.7 t -73.28 -32.35 64.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.535 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.712 HD11 HD23 ' A' ' 15' ' ' LEU . 30.3 mt -84.56 -31.39 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.203 0.525 . . . . 0.0 110.323 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -81.6 -26.86 34.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.271 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.564 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -58.66 -50.76 86.28 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.363 -178.306 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 30.4 Cg_endo -64.08 -33.66 60.92 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 121.744 1.629 . . . . 0.0 111.853 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.795 ' CE2' HG22 ' A' ' 41' ' ' VAL . 2.0 t80 -69.82 -43.48 71.92 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.358 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.8 mt -76.94 -33.42 57.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.637 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.64 56.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.175 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 17.7 ptmt -66.51 -41.89 88.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.049 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -64.9 -45.82 84.33 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.599 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.828 ' O ' HD23 ' A' ' 89' ' ' LEU . 5.4 mmm180 -58.88 -54.63 44.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.277 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.25 -37.96 82.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.173 0.511 . . . . 0.0 109.966 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.617 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 22.0 t80 -62.26 -51.36 68.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.922 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -74.51 -25.83 59.6 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.737 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -89.51 -11.42 42.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.542 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.9 p -82.08 -54.73 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.382 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.483 ' O ' ' CB ' ' A' ' 93' ' ' GLU . 15.6 m80 -60.29 119.4 7.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.124 0.488 . . . . 0.0 112.3 -178.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER 94.73 -10.22 0.11 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.539 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 178.45 106.94 0.15 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 120.517 0.199 . . . . 0.0 111.032 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.9 67.02 0.9 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.531 2.154 . . . . 0.0 112.337 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 t -91.3 98.82 11.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.625 ' CG ' ' HD3' ' A' ' 98' ' ' PRO . 8.7 p80 166.77 -35.44 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.225 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.625 ' HD3' ' CG ' ' A' ' 97' ' ' HIS . 19.5 Cg_endo -91.77 172.46 2.66 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.512 2.141 . . . . 0.0 112.268 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.491 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.6 Cg_endo -41.48 -57.48 1.42 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.088 2.525 . . . . 0.0 112.931 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 99' ' ' PRO . 11.7 Cg_endo -55.34 86.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.49 2.126 . . . . 0.0 112.414 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.8 -78.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.943 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.836 0.35 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.3 25.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.459 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 3' ' ' LEU . 1.8 pp -39.24 97.11 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.515 HD13 ' OE2' ' A' ' 62' ' ' GLU . 3.1 mp -88.36 146.79 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.434 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -48.62 -35.68 14.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.752 0.311 . . . . 0.0 111.287 -179.428 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' N ' ' HG2' ' A' ' 5' ' ' LYS . . . -51.6 -39.27 57.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.104 0.478 . . . . 0.0 110.801 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -71.12 -45.67 63.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.655 ' HA ' HD12 ' A' ' 11' ' ' ILE . 3.0 mttt -60.77 -37.15 80.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.534 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.6 -45.99 81.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.973 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -46.2 90.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.726 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.739 HD11 ' OE2' ' A' ' 69' ' ' GLU . 5.5 mt -62.87 -51.13 75.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.731 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.81 -41.14 90.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.64 0.257 . . . . 0.0 111.147 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.25 -45.5 87.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.466 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.68 -39.22 93.67 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.517 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD11 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -69.18 -39.83 78.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.541 0.21 . . . . 0.0 110.948 179.513 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.851 ' O ' HG23 ' A' ' 20' ' ' VAL . 7.1 tttt -61.34 -53.25 59.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.643 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.87 -38.57 82.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.379 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CD2' HD11 ' A' ' 22' ' ' LEU . 6.4 t80 -62.14 -46.79 87.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.18 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.8 p -61.68 -41.32 97.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.171 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.4 t -64.95 -32.96 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.208 0.528 . . . . 0.0 109.831 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.742 HD21 ' CE3' ' A' ' 44' ' ' TRP . 13.1 tp -66.49 -45.41 79.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.23 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' CD2' ' A' ' 81' ' ' PHE . 10.1 mt -71.55 -45.84 61.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.74 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -61.03 -41.59 96.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.657 0.265 . . . . 0.0 111.694 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -74.02 4.24 5.75 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 6.5 mm-40 -66.29 176.6 1.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.53 117.5 46.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 0.0 111.785 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 45.9 m-85 -139.52 85.82 2.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -153.06 -57.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.11 0.481 . . . . 0.0 109.95 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.24 99.8 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.06 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . . . -72.11 102.93 3.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.62 0.724 . . . . 0.0 112.215 -177.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -111.27 -51.68 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.861 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.499 HG22 ' N ' ' A' ' 33' ' ' SER . 11.4 p -61.64 159.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.259 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.499 ' N ' HG22 ' A' ' 32' ' ' VAL . 37.7 m -74.05 163.05 28.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.803 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.9 pt-20 -74.5 -40.29 61.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.14 -33.75 71.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.892 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -63.31 -56.16 18.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.598 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.494 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -58.27 -48.1 81.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.541 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 34' ' ' GLU . 91.4 t -56.28 -44.67 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.0 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.1 m -63.26 -33.58 75.81 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.168 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 36' ' ' ASP . 24.9 t -67.01 -46.69 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.939 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.678 HG22 ' CE2' ' A' ' 81' ' ' PHE . 47.4 t -59.46 -54.93 27.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.997 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -38.97 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 0.0 110.674 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -58.98 -43.99 91.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.791 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.742 ' CE3' HD21 ' A' ' 21' ' ' LEU . 37.6 m0 -67.01 -49.02 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.732 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -48.99 72.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.403 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -41.88 94.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.703 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.44 -33.36 75.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.273 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.51 -51.67 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.0 mm -58.1 -51.4 71.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.774 0.321 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -39.91 83.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.335 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -69.95 -49.52 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.222 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CE2' HD21 ' A' ' 70' ' ' LEU . 2.3 m-85 -62.21 -32.58 73.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.558 ' O ' HG23 ' A' ' 56' ' ' VAL . 6.2 ttp85 -58.91 -42.86 90.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.727 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -75.41 -22.72 57.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -89.95 43.45 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.794 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 53' ' ' ARG . 23.6 t -114.81 139.14 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.796 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 t -127.24 -7.97 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.68 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.77 176.91 44.72 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.71 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 1.3 pm0 -69.11 166.59 27.19 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-O 120.638 0.256 . . . . 0.0 111.368 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 2.7 Cg_endo -44.96 -32.95 6.96 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.057 2.505 . . . . 0.0 112.591 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -73.17 -41.67 63.63 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.515 ' OE2' HD13 ' A' ' 4' ' ' LEU . 3.5 tt0 -69.0 -39.22 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.792 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.54 ' CB ' HG11 ' A' ' 56' ' ' VAL . 25.7 ttm180 -66.75 -52.0 49.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.261 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.81 -39.42 88.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -46.99 87.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.542 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -69.16 -32.6 72.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 53' ' ' ARG . 3.5 mm? -76.19 -31.55 58.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -77.69 -39.97 43.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.657 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.739 ' OE2' HD11 ' A' ' 11' ' ' ILE . 10.6 pt-20 -71.81 -33.49 68.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -66.94 -50.23 63.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.948 178.728 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 68' ' ' GLN . 8.0 ptm180 -60.11 -44.69 94.66 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.962 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 50.7 tt0 -59.3 -50.36 74.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.836 ' CG ' HD11 ' A' ' 15' ' ' LEU . 61.3 mm-40 -58.8 -36.22 74.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -63.42 -45.8 89.27 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.68 -33.06 75.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 109.849 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 m -76.51 -33.1 58.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.475 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.44 HD11 ' HG ' ' A' ' 15' ' ' LEU . 45.3 mt -83.74 -33.19 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.193 0.52 . . . . 0.0 110.366 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.53 -25.17 36.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.335 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.538 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -58.65 -50.92 85.4 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.265 -178.266 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 40.9 Cg_endo -68.3 -31.63 28.12 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 121.881 1.72 . . . . 0.0 112.166 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.678 ' CE2' HG22 ' A' ' 41' ' ' VAL . 3.0 t80 -73.1 -46.0 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.422 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.473 HD23 HG11 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -67.95 -41.42 82.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.556 -179.456 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.77 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 110.528 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -36.6 84.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.494 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 6.7 t80 -72.71 -44.95 61.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.132 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -44.05 84.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.19 0.519 . . . . 0.0 109.744 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.35 -36.76 83.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.533 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.704 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 22.2 t80 -63.38 -47.57 81.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.604 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.591 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 7.6 tp -73.98 -29.94 62.24 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.62 0.248 . . . . 0.0 111.591 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -17.5 44.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.706 0.289 . . . . 0.0 110.959 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 t -69.09 -53.85 18.09 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.81 111.32 1.41 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.995 0.902 . . . . 0.0 112.657 -176.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -47.36 -43.95 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 113.754 -1.566 . . . . 0.0 113.833 -178.293 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.36 73.22 0.3 Allowed Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 93' ' ' GLU . 76.4 Cg_endo -83.48 -39.45 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.445 2.097 . . . . 0.0 111.982 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 p -84.45 6.66 22.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.115 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.406 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 17.1 m80 60.99 53.51 2.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.737 0.304 . . . . 0.0 111.088 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.51 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 2.1 Cg_endo -42.69 -56.33 2.2 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.208 2.606 . . . . 0.0 112.978 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 98' ' ' PRO . 14.1 Cg_endo -57.09 121.7 10.53 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.487 2.125 . . . . 0.0 112.546 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.32 -165.96 0.38 Allowed 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -158.57 165.05 35.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.91 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.9 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.901 0.382 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.46 82.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.057 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -162.81 119.44 1.91 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.732 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mm? -121.67 130.78 53.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.047 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HA ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.81 -25.71 2.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.37 90.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.009 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -77.05 -46.72 22.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.443 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.23 -35.08 79.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.019 0.438 . . . . 0.0 110.325 179.853 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.08 -44.94 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.961 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -42.57 98.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.594 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.467 HG22 HD13 ' A' ' 15' ' ' LEU . 57.1 mt -70.24 -51.88 34.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.713 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -65.67 -40.26 92.2 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 122.295 -0.253 . . . . 0.0 111.225 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.5 95.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.292 0.568 . . . . 0.0 109.611 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -70.19 -37.59 72.04 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.264 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD21 ' HG2' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -70.25 -39.76 74.81 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.675 0.274 . . . . 0.0 110.442 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.884 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -61.03 -53.25 59.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.332 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.4 -36.5 80.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.03 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.761 ' CE2' HD11 ' A' ' 22' ' ' LEU . 25.1 t80 -69.67 -34.55 74.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.348 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 1.2 m -74.19 -44.67 52.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.622 0.248 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.7 t -66.66 -33.45 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.324 0.583 . . . . 0.0 109.581 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.907 HD11 ' CH2' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -71.44 -44.76 64.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.036 179.223 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' A' ' 18' ' ' PHE . 12.5 mt -70.71 -36.26 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 19' ' ' SER . 4.7 m-80 -77.58 -10.22 59.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.257 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 45.17 0.99 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.962 0.411 . . . . 0.0 111.94 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' CB ' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -119.52 131.2 55.51 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.024 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.522 ' HB ' ' OD1' ' A' ' 29' ' ' ASP . 27.1 m -72.6 52.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -178.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CE2' ' CB ' ' A' ' 25' ' ' GLN . 69.0 m-85 -61.93 86.08 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.528 0.68 . . . . 0.0 110.549 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' VAL . 2.0 t30 178.63 -20.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.209 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.522 ' OD1' ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -98.62 97.91 9.13 Favored 'General case' 0 CA--C 1.527 0.074 0 CA-C-O 121.439 0.638 . . . . 0.0 112.255 -179.475 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.784 ' HB2' ' CG ' ' A' ' 92' ' ' HIS . . . -70.42 86.87 0.62 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.163 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -173.86 148.23 1.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 113.129 -1.85 . . . . 0.0 108.872 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER 100.33 170.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 122.966 0.507 . . . . 0.0 111.228 -179.588 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.531 ' H ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -90.68 140.47 29.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.276 -179.762 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.76 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.4 pp20? -74.62 -40.56 61.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.255 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -53.94 -36.38 62.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.224 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.797 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -58.34 -56.16 25.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.471 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -43.79 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 34' ' ' GLU . 87.4 t -56.27 -45.45 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.232 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -35.75 81.64 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.371 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 36' ' ' ASP . 24.4 t -58.94 -48.01 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.219 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.12 -42.51 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.999 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.74 -42.9 97.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.62 -47.29 81.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.671 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.907 ' CH2' HD11 ' A' ' 21' ' ' LEU . 25.7 m0 -58.9 -48.94 79.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 34.2 ttm -56.88 -48.79 77.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.505 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 49' ' ' ILE . 39.5 m-80 -64.78 -41.56 95.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.928 0.394 . . . . 0.0 110.393 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.481 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -72.66 -47.83 44.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 70' ' ' LEU . 4.4 tp -58.6 -49.21 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.961 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.491 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 2.3 t30 -63.15 -46.22 88.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.386 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -67.5 -28.51 67.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.247 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.16 -38.93 21.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.577 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.804 ' HA ' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.94 -35.49 69.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.642 0.258 . . . . 0.0 110.845 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -80.43 -32.73 37.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.939 0.4 . . . . 0.0 110.502 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -72.42 48.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.586 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.792 HG11 ' HA ' ' A' ' 63' ' ' ARG . 3.2 t -147.87 89.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.24 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.1 p -93.17 25.41 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.544 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.68 -174.52 32.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.188 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -56.17 167.53 0.89 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.655 0.264 . . . . 0.0 110.874 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 36.4 Cg_endo -65.12 -30.15 55.85 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.481 2.121 . . . . 0.0 112.456 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -71.62 -47.51 54.11 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -40.29 85.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.943 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.792 ' HA ' HG11 ' A' ' 56' ' ' VAL . 6.8 ptp180 -74.44 -52.16 12.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.673 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -57.79 -42.21 83.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.42 -40.52 73.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.981 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.93 88.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.024 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.804 HD21 ' HA ' ' A' ' 53' ' ' ARG . 14.0 mt -67.89 -39.02 83.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -66.2 -50.34 64.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -62.5 -33.41 74.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.238 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 49' ' ' ILE . 2.1 tp -66.8 -51.92 50.04 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -57.27 -42.54 81.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -61.99 -50.41 72.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.397 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.537 ' HG2' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -55.43 -51.14 67.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.336 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.51 -48.09 77.94 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.94 -28.45 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.784 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.473 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 7.4 m -72.95 -54.37 8.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.428 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 8.6 mt -57.62 -46.38 84.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.97 -22.88 65.0 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.469 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.03 -55.55 44.02 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 76' ' ' THR . 35.2 Cg_endo -64.44 -19.49 65.34 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 121.873 1.716 . . . . 0.0 112.053 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 1.2 t80 -73.87 -44.9 53.97 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.244 0.545 . . . . 0.0 111.562 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 82' ' ' LEU . 2.1 mm? -77.11 -32.25 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.82 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.27 51.23 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.014 0.435 . . . . 0.0 110.179 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 0.4 OUTLIER -67.05 -40.45 87.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.235 179.581 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -43.13 71.95 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.907 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -57.59 -46.34 84.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.205 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -39.33 94.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.874 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -62.34 -48.66 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.607 179.583 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -74.44 -34.57 63.24 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -179.249 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -77.33 -23.25 50.97 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.675 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t -90.8 -48.68 6.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 0.0 111.064 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.784 ' CG ' ' HB2' ' A' ' 30' ' ' ALA . 4.2 m170 -61.05 129.51 41.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.422 0.63 . . . . 0.0 112.48 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -102.48 141.39 35.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.053 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.9 mt -153.17 85.84 4.17 Favored Pre-proline 0 CA--C 1.529 0.169 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -82.96 157.55 15.49 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.646 2.231 . . . . 0.0 110.612 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.5 p -76.22 153.28 36.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.949 0.404 . . . . 0.0 111.504 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 0.1 OUTLIER 172.46 102.99 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.447 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 97' ' ' HIS . 0.9 OUTLIER -44.03 101.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.864 2.376 . . . . 0.0 112.662 -179.705 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.539 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 27.4 Cg_endo -69.17 -30.61 24.71 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.376 2.051 . . . . 0.0 114.235 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 99' ' ' PRO . 80.1 Cg_endo -84.11 24.85 0.72 Allowed 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.959 1.773 . . . . 0.0 113.174 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.64 131.56 44.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.873 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.78 0.324 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 3' ' ' LEU . . . -119.62 145.7 46.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 2.7 pp 156.65 -8.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.956 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER 72.58 71.35 0.14 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.857 0.36 . . . . 0.0 110.69 -179.562 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.37 -25.83 2.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.55 -32.4 18.41 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.781 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 25.7 p30 -75.93 -30.97 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 110.035 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 11' ' ' ILE . 6.6 tttt -77.49 -31.8 53.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.366 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.12 -36.92 64.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.709 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.862 HD21 ' CD1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -69.96 -44.64 69.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 179.347 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.488 HD12 ' OE2' ' A' ' 69' ' ' GLU . 5.0 tt -62.7 -50.16 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.639 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.484 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 1.2 m -66.67 -38.16 86.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.548 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.64 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 110.545 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.02 -36.62 60.65 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.334 178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.849 HD21 ' HG2' ' A' ' 73' ' ' GLU . 1.4 mp -70.13 -39.19 75.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.626 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.771 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.0 tttp -65.64 -53.12 45.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.994 0.426 . . . . 0.0 110.516 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.9 -38.39 78.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.437 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.876 ' CE2' HD11 ' A' ' 22' ' ' LEU . 13.4 t80 -68.79 -40.99 79.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.212 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -38.73 90.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 16' ' ' LYS . 3.5 t -72.32 -41.16 65.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.232 0.539 . . . . 0.0 109.953 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD21 ' CE3' ' A' ' 44' ' ' TRP . 11.4 tp -55.96 -48.32 76.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.651 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.876 HD11 ' CE2' ' A' ' 18' ' ' PHE . 59.7 mt -71.55 -35.64 70.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.407 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -82.66 0.23 44.13 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -93.15 28.53 2.13 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.365 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.596 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 65.5 mm-40 -93.19 176.67 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.21 50.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 37.0 m-85 -62.5 105.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.45 0.643 . . . . 0.0 110.404 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t30 179.64 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.702 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.536 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -126.24 92.96 3.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.925 178.813 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.794 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -72.61 108.54 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -176.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.985 HD22 ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -124.31 -50.64 1.77 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.012 179.072 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.985 ' N ' HD22 ' A' ' 31' ' ' LEU . 14.9 p -67.31 149.02 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.96 0.41 . . . . 0.0 111.521 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.18 150.26 39.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.829 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -74.68 -34.74 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.02 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -59.41 -38.92 81.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.562 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.909 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.2 t70 -60.01 -55.61 31.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.233 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.477 ' CG ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.96 -44.19 86.89 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 34' ' ' GLU . 74.6 t -56.52 -44.88 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.109 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m -68.28 -31.82 71.53 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.508 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 36' ' ' ASP . 37.7 t -63.87 -51.74 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 42.4 t -62.56 -41.49 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.748 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 45' ' ' MET . 0.3 OUTLIER -64.17 -41.89 96.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -42.99 98.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.151 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 43.5 m0 -67.35 -49.06 65.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.194 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -59.03 -37.39 76.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.21 -43.61 70.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.534 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.0 -34.35 78.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.058 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -50.76 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.62 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.587 HD11 HD12 ' A' ' 74' ' ' LEU . 34.1 mm -57.71 -48.3 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -62.94 -32.89 74.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.397 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -81.4 -31.88 33.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.614 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.862 ' CD1' HD21 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -75.23 -39.75 59.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.339 -179.539 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.689 ' HB3' HD21 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -49.34 -32.32 11.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.216 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -8.0 56.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.936 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -96.61 12.34 32.04 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.556 0.217 . . . . 0.0 111.47 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.762 HG12 ' H ' ' A' ' 58' ' ' GLY . 35.0 t -94.96 -83.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 1.9 m 90.64 7.62 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.718 0.407 . . . . 0.0 111.599 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.762 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -92.02 -177.94 42.02 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.37 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -64.71 169.35 5.34 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 117.367 0.584 . . . . 0.0 110.615 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 9.8 Cg_endo -51.83 -27.84 28.73 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.477 2.118 . . . . 0.0 112.308 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 24.5 pt20 -73.07 -42.79 62.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -45.44 91.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.323 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -68.53 -49.72 57.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.8 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.92 -52.04 65.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.453 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -56.88 -47.43 80.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.436 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HA ' ' HG2' ' A' ' 69' ' ' GLU . . . -64.72 -51.32 63.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.444 0.64 . . . . 0.0 109.693 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 53' ' ' ARG . 15.6 mt -54.55 -33.81 60.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.71 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -72.47 -50.35 26.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE2' HD12 ' A' ' 11' ' ' ILE . 22.0 pt-20 -64.74 -29.87 70.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.259 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.52 -50.27 59.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.243 179.275 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -62.54 -44.24 96.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.767 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.15 -42.55 99.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.708 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.849 ' HG2' HD21 ' A' ' 15' ' ' LEU . 26.6 mt-10 -62.9 -42.24 99.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.044 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.587 HD12 HD11 ' A' ' 49' ' ' ILE . 13.8 mt -64.7 -38.09 89.81 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.828 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ASN . 8.1 m-80 -64.94 -49.44 70.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.975 0.417 . . . . 0.0 110.221 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 73' ' ' GLU . 5.2 t -60.4 -34.61 74.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.514 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.68 -43.34 22.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.529 0.68 . . . . 0.0 109.694 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -68.9 -27.01 65.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.334 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.476 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -58.43 -56.85 31.11 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.738 -177.567 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 19.6 Cg_endo -59.18 -31.75 95.88 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 121.701 1.6 . . . . 0.0 111.932 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.636 ' HD2' HD22 ' A' ' 22' ' ' LEU . 1.1 t80 -74.17 -50.66 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.425 0.631 . . . . 0.0 110.907 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 82' ' ' LEU . 7.3 tt -68.7 -40.49 80.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.241 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.14 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -69.82 -39.98 76.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.664 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CE2' ' CG ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -68.8 -39.41 80.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.917 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' HG3' HD23 ' A' ' 82' ' ' LEU . 4.5 mmm180 -64.0 -53.05 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -33.54 64.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.25 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.794 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -63.98 -51.82 62.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.71 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 5.6 mt -74.43 -27.84 60.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.107 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -13.29 43.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.7 0.286 . . . . 0.0 111.549 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.0 t -111.37 -52.82 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 111.205 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -69.51 112.6 6.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.178 0.513 . . . . 0.0 112.326 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.417 ' CB ' ' HD3' ' A' ' 95' ' ' PRO . 0.8 OUTLIER -74.31 156.99 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.077 178.415 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.755 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -122.09 43.22 0.67 Allowed Pre-proline 0 CA--C 1.532 0.287 0 O-C-N 122.11 -0.369 . . . . 0.0 111.955 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 94' ' ' LEU . 88.0 Cg_endo -78.63 -16.03 13.39 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.297 1.998 . . . . 0.0 112.398 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.9 73.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -129.68 163.24 48.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.18 119.06 5.92 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.614 2.209 . . . . 0.0 112.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.34 161.85 41.74 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.446 2.097 . . . . 0.0 112.271 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.32 143.77 39.91 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.509 2.139 . . . . 0.0 112.338 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 p -170.15 87.58 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.2 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.95 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.756 0.312 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -91.92 -4.28 54.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.594 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.563 HD22 ' HD3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -29.91 88.34 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.937 0.495 . . . . 0.0 112.257 -179.468 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.602 HD13 ' HG3' ' A' ' 62' ' ' GLU . 0.7 OUTLIER 45.37 104.56 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.0 0.429 . . . . 0.0 111.768 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -48.92 -27.34 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.431 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.62 -42.64 71.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.629 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -68.8 -32.32 71.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.373 . . . . 0.0 110.58 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -35.58 60.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.526 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -64.9 -47.87 76.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.384 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -66.19 -43.83 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.401 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.942 HD13 HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -61.21 -51.15 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.211 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 11' ' ' ILE . 3.9 m -59.82 -42.62 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.61 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.92 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.324 . . . . 0.0 110.699 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.71 -35.15 85.12 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.517 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.613 HD11 ' CB ' ' A' ' 73' ' ' GLU . 2.1 mp -71.27 -39.75 71.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.645 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.869 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.3 tttt -61.88 -53.17 59.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -59.72 -40.64 88.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.555 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.748 ' CE1' HD11 ' A' ' 22' ' ' LEU . 21.2 t80 -61.91 -48.99 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 p -59.12 -41.06 87.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.603 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -69.34 -37.86 76.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.241 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.985 HD11 ' CH2' ' A' ' 44' ' ' TRP . 1.4 tp -59.69 -47.26 86.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.111 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.748 HD11 ' CE1' ' A' ' 18' ' ' PHE . 14.9 mt -68.33 -36.18 78.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.765 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.564 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 22.2 p30 -80.25 -33.0 38.26 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.564 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 12.8 pt20 -61.51 14.21 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.5 mp0 -79.64 176.65 9.51 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 26' ' ' VAL . 13.6 p -101.99 50.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.527 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 45.1 m-85 -62.82 90.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.475 0.655 . . . . 0.0 110.688 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -156.96 -57.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.611 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.559 ' HB2' HD23 ' A' ' 31' ' ' LEU . 7.4 p-10 -126.39 101.76 6.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.384 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.864 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . . . -72.87 76.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.203 0.525 . . . . 0.0 111.55 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 29' ' ' ASP . 3.6 mm? -113.3 50.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.214 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.646 HG13 ' H ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -144.45 -86.48 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.646 ' H ' HG13 ' A' ' 32' ' ' VAL . 2.1 p 176.9 137.04 0.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.741 0.305 . . . . 0.0 110.687 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.808 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -74.27 -45.88 44.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.428 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -53.87 -41.84 67.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.801 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -58.15 -55.74 31.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.464 179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -57.93 -43.44 86.28 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 34' ' ' GLU . 94.1 t -56.81 -44.68 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.052 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -38.05 89.66 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.105 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 36' ' ' ASP . 8.2 t -61.91 -39.87 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.826 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.831 HG11 HD23 ' A' ' 82' ' ' LEU . 53.4 t -65.3 -50.04 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.73 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -42.77 95.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.709 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -38.77 92.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.985 ' CH2' HD11 ' A' ' 21' ' ' LEU . 22.0 m0 -68.64 -48.5 63.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.81 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 29.7 ttm -58.51 -45.22 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.352 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -67.8 -43.44 79.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.002 0.429 . . . . 0.0 110.483 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -64.44 -33.1 75.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.541 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -71.05 -45.56 63.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.622 HD11 HD12 ' A' ' 74' ' ' LEU . 34.3 mm -60.54 -52.46 61.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.723 0.297 . . . . 0.0 110.785 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.99 -40.63 94.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -67.18 -49.19 65.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.563 ' O ' HG22 ' A' ' 56' ' ' VAL . 12.5 m-85 -59.55 -30.88 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.5 ttp-105 -62.33 -39.64 93.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -6.78 43.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.793 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' CG ' ' HA ' ' A' ' 52' ' ' TYR . 11.9 pt20 -115.9 24.63 11.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.669 0.271 . . . . 0.0 111.495 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.08 HG12 ' NH1' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -114.16 125.85 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.078 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.575 ' N ' HH11 ' A' ' 63' ' ' ARG . 2.0 m -167.55 125.92 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 154.87 -6.92 0.3 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 119.741 -1.218 . . . . 0.0 113.827 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER 157.11 121.18 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 123.098 0.559 . . . . 0.0 109.847 178.148 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 59' ' ' GLU . 5.7 Cg_endo -46.88 -51.09 9.75 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.526 2.151 . . . . 0.0 111.842 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 26.0 tt0 -62.26 -37.08 84.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.602 ' HG3' HD13 ' A' ' 4' ' ' LEU . 3.1 tt0 -71.89 -32.75 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.34 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 1.08 ' NH1' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -74.56 -55.6 5.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.261 0.553 . . . . 0.0 110.54 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.88 -33.45 73.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.522 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.563 ' HD3' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -68.85 -47.15 66.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.32 73.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.169 0.509 . . . . 0.0 110.311 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.001 HD21 HG21 ' A' ' 56' ' ' VAL . 1.8 mm? -72.94 -43.91 61.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.707 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 9.0 pt20 -63.78 -42.5 97.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 110.153 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 3.5 mm-40 -62.76 -41.83 99.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.849 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.942 HD22 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -55.54 -50.99 68.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.323 179.22 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -58.13 -49.14 78.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.764 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 76' ' ' THR . 0.9 OUTLIER -59.26 -50.45 73.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.397 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.613 ' CB ' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -55.03 -45.13 75.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.729 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.622 HD12 HD11 ' A' ' 49' ' ' ILE . 57.4 mt -59.26 -44.35 92.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.232 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -64.53 -31.65 72.95 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.173 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.0 p -79.97 -28.86 39.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.382 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 77' ' ' LEU . 24.1 mt -85.91 -33.57 21.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.12 0.486 . . . . 0.0 110.419 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.51 -24.21 36.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.281 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.54 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.81 -50.78 86.16 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.398 -178.359 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 42.5 Cg_endo -68.5 -31.9 26.25 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 121.837 1.691 . . . . 0.0 112.235 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.7 ' CE2' HG22 ' A' ' 41' ' ' VAL . 2.2 t80 -71.1 -44.71 65.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.518 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.831 HD23 HG11 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -71.3 -40.6 70.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.49 -35.44 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 110.2 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 2.5 tttm -65.9 -42.04 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.547 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.46 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 2.3 t80 -68.17 -43.89 77.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.73 0.3 . . . . 0.0 111.19 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -54.47 46.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.904 0.383 . . . . 0.0 110.663 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -38.71 89.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.095 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 6.4 t80 -63.31 -40.37 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.208 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -74.01 -31.13 62.79 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.382 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -85.72 -22.91 27.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 111.658 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.8 t -71.37 -59.45 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 111.728 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.864 ' CE1' ' HB3' ' A' ' 30' ' ' ALA . 20.4 p-80 -59.85 113.49 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.526 0.679 . . . . 0.0 112.248 -177.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 92' ' ' HIS . 0.7 OUTLIER 82.45 167.68 0.12 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.824 -179.539 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 93' ' ' GLU . 0.8 OUTLIER 6.61 67.99 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -93.37 -115.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.073 2.515 . . . . 0.0 111.646 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.6 p -127.85 -26.85 2.87 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.039 -0.413 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.469 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 0.0 OUTLIER -45.23 -61.55 2.25 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.521 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 97' ' ' HIS . 6.8 Cg_endo -49.68 159.59 1.43 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.61 2.207 . . . . 0.0 112.063 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.76 110.4 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.609 2.206 . . . . 0.0 112.511 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -84.61 118.95 2.22 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.612 2.208 . . . . 0.0 112.264 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -88.85 7.59 33.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.343 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.882 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.0 p . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.811 0.338 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.51 -161.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 3' ' ' LEU . 5.9 mt -66.14 118.04 9.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.776 0.322 . . . . 0.0 110.532 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.92 136.28 40.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -29.62 4.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.16 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -41.4 85.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 0.0 110.584 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -76.73 -43.9 35.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.449 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.58 83.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.44 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.81 -48.44 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.968 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -41.84 93.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.671 HD13 HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -68.0 -51.45 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.51 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.477 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 59.0 p -67.99 -39.27 83.28 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.456 -0.153 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -62.71 -35.83 81.0 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.62 -32.38 61.78 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.375 -0.916 . . . . 0.0 110.873 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.815 HD23 HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -74.52 -40.24 61.87 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.493 0.187 . . . . 0.0 111.053 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.897 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -68.48 -44.73 74.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.682 0.277 . . . . 0.0 110.642 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -67.44 -38.79 85.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.022 0.439 . . . . 0.0 110.194 179.382 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.732 ' CE1' HD11 ' A' ' 22' ' ' LEU . 23.4 t80 -73.84 -32.71 63.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -68.97 -44.05 73.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.596 0.236 . . . . 0.0 110.801 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.2 t -68.91 -38.37 78.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.857 HD11 ' CZ2' ' A' ' 44' ' ' TRP . 13.9 tp -56.56 -45.87 81.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.447 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.732 HD11 ' CE1' ' A' ' 18' ' ' PHE . 11.5 mt -78.73 -48.85 14.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -58.51 -17.73 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -85.38 57.84 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 111.395 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.78 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 39.9 mm-40 -119.96 176.92 5.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.05 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.891 HG22 ' HB2' ' A' ' 29' ' ' ASP . 8.5 p -111.64 50.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.324 -0.55 . . . . 0.0 112.413 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.78 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 26.4 m-85 -62.75 141.35 58.63 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER 87.31 15.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -176.692 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.891 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -126.29 159.63 32.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.934 -179.454 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.71 73.32 0.84 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.333 -1.303 . . . . 0.0 113.395 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.797 HD13 HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -162.71 134.24 5.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.462 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER 95.4 139.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.139 0.576 . . . . 0.0 111.135 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -74.1 150.33 40.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.172 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.1 pp20? -74.48 -47.0 35.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.34 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.19 -42.36 73.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.999 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.777 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -59.18 -54.36 47.85 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.969 0.414 . . . . 0.0 110.335 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.469 ' O ' HG23 ' A' ' 41' ' ' VAL . 38.8 tpp -58.05 -44.42 87.43 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.487 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 34' ' ' GLU . 84.9 t -56.41 -45.92 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.776 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -64.63 -35.82 82.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.152 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 36' ' ' ASP . 48.0 t -58.1 -40.7 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-O 121.13 0.491 . . . . 0.0 110.453 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.813 HG22 ' CE2' ' A' ' 81' ' ' PHE . 34.5 t -68.52 -46.31 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.228 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -45.53 86.98 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.973 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 4.3 p30 -67.07 -35.05 78.98 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.046 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.857 ' CZ2' HD11 ' A' ' 21' ' ' LEU . 7.3 m0 -62.21 -49.44 75.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.076 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.603 ' O ' HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.81 -49.16 78.79 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.618 -179.182 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -43.62 98.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.939 0.399 . . . . 0.0 110.49 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.21 -40.26 89.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -70.02 -47.75 60.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.603 HD13 ' O ' ' A' ' 45' ' ' MET . 1.6 mp -57.76 -56.03 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.801 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -49.01 76.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.487 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -61.65 -49.68 75.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.363 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.961 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -65.22 -30.89 71.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.804 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.625 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -56.46 -41.99 77.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.647 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -90.95 -24.08 20.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.448 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -77.89 -19.35 54.92 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 52' ' ' TYR . 94.1 t -54.18 -99.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.264 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.591 ' N ' HG12 ' A' ' 56' ' ' VAL . 6.6 m 100.51 170.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.209 0.604 . . . . 0.0 109.705 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.512 ' H ' HG22 ' A' ' 57' ' ' THR . . . 91.05 -172.83 37.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.096 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.04 164.49 3.36 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 52.7 Cg_endo -68.93 -25.17 32.81 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.523 2.149 . . . . 0.0 112.478 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 46.4 tt0 -73.1 -48.36 36.43 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.05 -42.55 90.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.112 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.678 ' HA ' HG11 ' A' ' 56' ' ' VAL . 9.9 ptp180 -70.77 -50.83 31.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -57.71 -35.3 70.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -73.33 -38.13 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.43 -39.74 70.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.166 0.508 . . . . 0.0 110.37 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.625 HD21 ' CG ' ' A' ' 53' ' ' ARG . 2.8 mp -65.89 -40.7 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.867 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -69.88 -41.86 74.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 2.2 mt-10 -68.51 -26.17 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.709 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 11.2 mt -75.31 -51.28 13.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -57.36 -39.55 76.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.346 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 10.6 pt20 -70.95 -49.66 43.16 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.709 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.74 -50.07 74.46 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.307 179.703 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.405 ' CD2' ' CE2' ' A' ' 18' ' ' PHE . 16.6 mt -57.14 -45.08 83.87 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.969 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.66 -29.73 70.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.541 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -80.27 -29.76 38.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.415 179.379 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.815 HD11 HD23 ' A' ' 15' ' ' LEU . 18.7 mt -79.01 -45.99 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.26 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.417 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . . . -68.29 -21.33 64.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.505 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.475 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -58.64 -57.61 25.39 Favored Pre-proline 0 C--N 1.331 -0.236 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.321 -178.235 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.487 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 19.7 Cg_endo -60.16 -31.71 93.56 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.132 1.888 . . . . 0.0 112.564 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.813 ' CE2' HG22 ' A' ' 41' ' ' VAL . 1.1 t80 -73.69 -46.93 43.35 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.453 0.644 . . . . 0.0 111.335 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.798 HD23 HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -77.0 -32.45 57.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.746 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.1 -30.31 58.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.249 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -72.34 -46.79 53.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.614 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -35.45 75.03 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.33 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -62.2 -41.66 98.56 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.007 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -40.12 95.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.407 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CZ ' ' O ' ' A' ' 29' ' ' ASP . 1.3 t80 -65.8 -50.06 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.372 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 34' ' ' GLU . 70.1 mt -63.58 -39.62 94.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HD3' ' HD3' ' A' ' 86' ' ' ARG . 3.8 mptt -85.05 -29.13 25.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.991 0.424 . . . . 0.0 110.987 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.12 -25.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.557 ' CE1' ' O ' ' A' ' 89' ' ' LEU . 4.1 p80 -86.09 116.24 24.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.582 1.083 . . . . 0.0 111.851 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.77 112.4 0.42 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.589 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.2 pp -136.16 82.59 35.33 Favored Pre-proline 0 N--CA 1.463 0.192 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.041 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -90.31 -1.77 5.37 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.995 2.463 . . . . 0.0 113.496 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -147.15 122.85 10.53 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.368 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.587 ' N ' ' HD3' ' A' ' 98' ' ' PRO . 4.5 m-70 -173.06 54.98 0.19 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.035 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.587 ' HD3' ' N ' ' A' ' 97' ' ' HIS . 23.0 Cg_exo -65.82 -48.03 3.3 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.742 2.295 . . . . 0.0 114.954 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.575 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 17.8 Cg_endo -67.73 -37.16 16.83 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.316 2.01 . . . . 0.0 114.982 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 99' ' ' PRO . 62.5 Cg_endo -72.05 15.52 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 121.965 1.777 . . . . 0.0 113.46 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.15 74.36 0.98 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.835 0.35 . . . . 0.0 110.789 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.08 109.67 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.829 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -124.01 -62.42 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.829 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 9.5 mt 98.36 92.64 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.14 0.976 . . . . 0.0 110.43 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -25.3 1.35 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.988 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.54 -43.26 89.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.142 0.496 . . . . 0.0 110.362 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -71.32 -46.59 60.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.528 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -60.06 -37.68 80.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.471 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.7 -46.29 79.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.894 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -60.4 -45.39 93.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.943 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 8' ' ' LYS . 12.3 mt -63.85 -51.91 63.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.441 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -62.93 -38.54 91.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.643 0.259 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -61.2 -45.25 95.37 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.1 -29.8 75.66 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.428 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -70.7 -40.22 73.0 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.638 0.256 . . . . 0.0 110.834 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.912 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -71.12 -44.78 64.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.184 -179.294 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.65 -46.59 89.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.272 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.712 ' CE2' HD11 ' A' ' 22' ' ' LEU . 4.8 t80 -59.43 -49.19 78.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.827 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.448 ' OG ' HD22 ' A' ' 77' ' ' LEU . 1.5 m -55.27 -41.19 71.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.518 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.0 t -64.08 -41.31 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.239 0.542 . . . . 0.0 110.066 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.798 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 6.9 tp -66.42 -46.76 75.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.446 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.781 HD22 ' HD2' ' A' ' 81' ' ' PHE . 68.3 mt -65.05 -41.58 95.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.617 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -76.78 -28.35 55.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.439 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -62.25 -3.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.5 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -80.93 149.75 29.27 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.6 t -79.51 127.58 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.835 0.35 . . . . 0.0 111.576 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 25' ' ' GLN . 61.0 m-85 -130.79 85.62 2.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -136.13 -65.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.021 0.439 . . . . 0.0 110.807 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.875 ' O ' HD23 ' A' ' 31' ' ' LEU . 9.3 p-10 -126.09 126.35 44.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.694 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.905 ' HB1' HD13 ' A' ' 89' ' ' LEU . . . -72.47 89.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.397 0.618 . . . . 0.0 112.359 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.875 HD23 ' O ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -103.7 -51.35 3.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.008 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.5 HG22 ' N ' ' A' ' 33' ' ' SER . 12.5 p -71.36 159.78 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.493 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.5 ' N ' HG22 ' A' ' 32' ' ' VAL . 33.7 t -66.67 154.3 40.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.848 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.8 tt0 -74.62 -47.1 34.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.361 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -33.52 58.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.229 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.885 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -61.88 -56.18 22.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.704 0.288 . . . . 0.0 110.537 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.474 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -60.27 -44.31 95.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 34' ' ' GLU . 53.2 t -56.9 -44.53 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.93 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -65.03 -35.23 80.52 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.024 0.44 . . . . 0.0 110.106 179.524 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 36' ' ' ASP . 38.4 t -61.63 -45.74 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.896 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.748 HG22 ' CE2' ' A' ' 81' ' ' PHE . 47.5 t -64.66 -42.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.672 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -43.03 86.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -48.67 80.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.798 ' CZ3' HD11 ' A' ' 21' ' ' LEU . 48.4 m0 -63.44 -48.46 77.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ttm -56.73 -48.85 76.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.421 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.08 -41.14 99.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.947 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -65.41 -34.25 77.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.814 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -71.59 -46.27 59.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.49 HD13 HD12 ' A' ' 70' ' ' LEU . 37.7 mm -60.8 -51.19 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -61.09 -41.93 97.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -67.11 -44.68 79.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.589 ' CE2' HD21 ' A' ' 70' ' ' LEU . 4.1 m-85 -62.44 -32.4 73.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.9 mtm180 -54.69 -34.58 62.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.458 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -13.75 53.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -91.06 24.01 3.0 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.755 0.312 . . . . 0.0 111.002 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.869 HG11 ' HG3' ' A' ' 63' ' ' ARG . 1.4 t -106.8 -173.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.822 ' H ' HG12 ' A' ' 56' ' ' VAL . 7.6 t 122.28 99.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.46 1.104 . . . . 0.0 110.152 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 178.42 22.72 0.03 OUTLIER Glycine 0 CA--C 1.527 0.825 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.693 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.61 ' HG2' ' H ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER 105.09 147.32 0.01 OUTLIER Pre-proline 0 N--CA 1.467 0.377 0 C-N-CA 124.594 1.157 . . . . 0.0 110.68 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.91 -51.09 7.88 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.999 2.466 . . . . 0.0 112.203 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.484 ' HG3' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -62.6 -30.08 71.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.126 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.658 ' OE1' HD12 ' A' ' 4' ' ' LEU . 9.1 tp10 -73.48 -50.49 21.29 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.525 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.869 ' HG3' HG11 ' A' ' 56' ' ' VAL . 13.7 ttp180 -65.03 -55.72 17.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.925 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -43.12 86.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.922 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 7.0 ttpt -68.26 -34.95 77.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.336 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.32 -41.09 57.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.205 0.526 . . . . 0.0 110.397 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.423 HD21 ' HG2' ' A' ' 53' ' ' ARG . 8.2 mt -70.4 -39.23 74.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.813 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 5.1 pp0? -67.25 -47.09 71.79 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.265 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -61.59 -34.58 75.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.902 179.001 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.589 HD21 ' CE2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -62.43 -51.83 65.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.48 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -57.42 -40.88 79.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.695 0.283 . . . . 0.0 110.581 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' O ' HG22 ' A' ' 76' ' ' THR . 1.7 mt-30 -64.41 -49.38 71.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.582 ' HG3' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -60.76 -27.06 67.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.51 -179.555 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.582 HD23 ' HG3' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -78.39 -47.97 16.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.124 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.33 -35.38 77.23 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 77' ' ' LEU . 7.8 t -69.97 -52.42 24.5 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' N ' HG23 ' A' ' 76' ' ' THR . 86.5 mt -61.08 -41.25 96.29 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.639 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.95 -16.47 56.92 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 111.718 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -58.76 -57.1 29.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.234 -177.75 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.447 ' CD ' ' O ' ' A' ' 76' ' ' THR . 50.3 Cg_endo -68.8 -25.19 33.57 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.402 2.068 . . . . 0.0 113.374 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.781 ' HD2' HD22 ' A' ' 22' ' ' LEU . 1.6 t80 -74.01 -48.31 31.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 111.521 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 82' ' ' LEU . 7.0 mt -64.9 -41.3 95.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.826 -179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.27 -38.38 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.349 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HE3' ' CD2' ' A' ' 27' ' ' PHE . 7.6 tttp -62.1 -37.22 84.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.565 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 5.6 t80 -75.9 -38.05 58.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -47.34 81.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.896 0.379 . . . . 0.0 110.48 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.68 -35.85 75.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.897 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -66.95 -40.23 87.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.805 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.905 HD13 ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -74.24 -38.42 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.93 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -7.01 54.73 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 t -63.17 -51.75 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -84.66 111.96 20.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.173 0.511 . . . . 0.0 112.268 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.51 -56.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.819 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.6 mt 56.03 74.67 0.67 Allowed Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.425 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.17 85.6 1.83 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.646 2.231 . . . . 0.0 112.208 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.8 t -46.44 -79.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.473 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 79.5 t60 62.76 63.35 1.77 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.795 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.77 150.68 31.02 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.618 2.212 . . . . 0.0 112.383 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.98 110.59 2.35 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.725 2.283 . . . . 0.0 112.367 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.55 76.88 4.29 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.475 2.117 . . . . 0.0 112.426 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -129.18 130.62 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.828 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.55 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 16.3 m . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.747 0.308 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 1' ' ' SER . . . 76.81 63.34 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.69 -177.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.5 mt -126.7 -36.01 2.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.51 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HA ' ' HG2' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -47.93 -31.46 5.22 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 121.238 0.542 . . . . 0.0 110.143 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.48 -34.42 35.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.951 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.438 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.4 m-80 -74.35 -47.17 36.03 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.416 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' HG2' ' HA ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -71.14 -30.98 67.15 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.023 0.44 . . . . 0.0 110.54 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.74 -44.68 76.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.366 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -42.5 99.64 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.429 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 7' ' ' ASN . 1.5 mp -69.45 -52.3 33.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.454 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -65.89 -38.98 90.16 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 122.112 -0.368 . . . . 0.0 111.073 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.589 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -63.92 -36.8 85.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.282 0.563 . . . . 0.0 109.576 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.24 -38.33 58.96 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.016 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.799 HD11 ' CB ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -71.02 -40.88 71.5 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.893 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.88 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -64.18 -45.04 90.12 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.13 -34.42 77.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.376 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.588 ' CD2' HD11 ' A' ' 22' ' ' LEU . 15.9 t80 -62.98 -42.33 99.81 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.923 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.832 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -69.4 -42.0 75.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.693 0.282 . . . . 0.0 111.085 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.6 t -62.54 -32.19 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.386 0.612 . . . . 0.0 109.454 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.981 HD11 ' CH2' ' A' ' 44' ' ' TRP . 4.2 tp -70.72 -40.13 73.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.621 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 19' ' ' SER . 6.6 mt -68.32 -44.29 75.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.167 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -30.96 63.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.717 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -100.94 30.04 4.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.665 0.269 . . . . 0.0 111.384 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.553 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -61.18 176.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.84 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.572 HG13 ' OH ' ' A' ' 85' ' ' TYR . 4.0 p -103.0 115.06 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.388 0.613 . . . . 0.0 110.974 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 41.3 m-85 -141.46 96.28 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.061 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.54 -63.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 119.466 1.03 . . . . 0.0 109.103 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -126.47 92.62 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.658 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.718 ' HB1' HD22 ' A' ' 89' ' ' LEU . . . -72.2 165.08 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -177.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.76 HD23 ' CE1' ' A' ' 92' ' ' HIS . 0.2 OUTLIER 102.05 68.53 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.003 -179.071 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.584 HG12 ' C ' ' A' ' 31' ' ' LEU . 1.5 p 153.96 -39.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.289 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.456 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 1.9 m -75.08 -4.07 36.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.556 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 38' ' ' VAL . 38.2 tt0 -63.65 -48.34 77.62 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.11 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.35 -44.88 57.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.193 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.907 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.9 t70 -59.95 -52.7 64.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.224 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 85' ' ' TYR . 10.5 tpp -58.07 -45.52 86.94 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 34' ' ' GLU . 3.7 t -55.68 -45.44 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.231 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 43' ' ' ASP . 54.7 m -67.55 -32.76 73.76 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.879 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 36' ' ' ASP . 67.4 t -62.54 -51.35 73.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.885 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.783 HG22 ' CE2' ' A' ' 81' ' ' PHE . 65.9 t -59.33 -49.9 81.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 110.177 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 45' ' ' MET . 1.4 tt0 -58.05 -39.12 77.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.571 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -64.3 -50.13 69.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.046 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.981 ' CH2' HD11 ' A' ' 21' ' ' LEU . 41.0 m0 -60.38 -49.49 77.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.973 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 6.2 ptp -56.96 -42.55 80.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 45' ' ' MET . 0.5 OUTLIER -69.53 -41.83 75.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.477 179.636 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -64.1 -36.13 83.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.217 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.73 -51.67 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 45' ' ' MET . 32.4 mm -56.21 -45.07 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.361 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 1.9 t30 -66.5 -43.92 84.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.311 . . . . 0.0 111.584 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.49 -29.15 62.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.708 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.679 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.9 m-85 -84.29 -44.42 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.339 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.815 ' HB2' HD11 ' A' ' 67' ' ' LEU . 4.3 ptm85 -51.54 -32.54 28.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -97.37 -25.57 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.663 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.454 ' HB2' ' HA ' ' A' ' 52' ' ' TYR . 5.7 mm100 -71.05 -9.8 58.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 52' ' ' TYR . 48.2 t -83.75 -74.59 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.604 0.24 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.567 HG23 ' C ' ' A' ' 56' ' ' VAL . 4.6 p 88.45 -118.48 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.522 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.505 ' N ' ' OG1' ' A' ' 57' ' ' THR . . . 39.15 -165.13 0.01 OUTLIER Glycine 0 C--N 1.34 0.801 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.316 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.05 167.33 9.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 122.798 -0.236 . . . . 0.0 110.474 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.38 -25.13 76.09 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.377 2.052 . . . . 0.0 112.491 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -47.9 58.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.229 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.74 -39.44 84.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -55.0 6.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.01 -40.73 81.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -72.55 -43.13 63.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.247 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.815 HD11 ' HB2' ' A' ' 53' ' ' ARG . 12.0 mt -70.66 -45.58 64.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.284 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -63.24 -34.46 77.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.782 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 1.8 tt0 -72.64 -38.33 67.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 52' ' ' TYR . 6.4 tp -64.61 -51.72 61.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.675 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -57.25 -43.94 83.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.49 -50.35 69.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 110.372 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.799 ' CB ' HD11 ' A' ' 15' ' ' LEU . 7.0 mm-40 -56.43 -50.94 70.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.161 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.4 -48.13 77.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.013 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.52 -27.7 67.82 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.087 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.457 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 17.0 m -74.06 -55.81 5.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.373 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.567 HD11 HD23 ' A' ' 15' ' ' LEU . 20.6 mt -57.97 -43.49 86.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.902 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.42 -27.17 68.34 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.447 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.1 m120 -57.88 -55.89 40.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.787 -176.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HD2' ' O ' ' A' ' 76' ' ' THR . 38.5 Cg_endo -67.42 -24.24 43.07 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 121.91 1.74 . . . . 0.0 112.369 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.783 ' CE2' HG22 ' A' ' 41' ' ' VAL . 1.2 t80 -74.15 -44.98 51.58 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.051 0.453 . . . . 0.0 110.573 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -40.27 94.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.214 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.45 92.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.242 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -47.04 88.06 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.572 ' OH ' HG13 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -70.53 -38.65 74.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.622 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 11.9 mmm180 -64.17 -30.8 71.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.32 -38.96 68.55 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.297 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.679 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 1.1 t80 -63.93 -42.41 97.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.172 0.51 . . . . 0.0 110.248 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.718 HD22 ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -74.34 -35.27 63.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.406 179.338 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -72.14 -31.52 66.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.235 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 p -51.82 9.24 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.76 ' CE1' HD23 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -60.41 174.36 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -30.61 88.95 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' HIS . 67.9 mt 28.28 101.58 0.02 OUTLIER Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.02 -34.72 8.02 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.425 2.083 . . . . 0.0 111.42 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m 54.0 -111.54 0.63 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.699 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.433 ' HB2' ' CD ' ' A' ' 98' ' ' PRO . 40.3 m-70 -78.52 -64.9 0.35 Allowed Pre-proline 0 CA--C 1.53 0.201 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.4 Cg_endo -45.02 99.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.852 2.368 . . . . 0.0 112.84 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.494 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -47.65 -55.47 3.94 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.622 2.215 . . . . 0.0 112.839 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 99' ' ' PRO . 23.7 Cg_endo -60.64 -85.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.295 1.997 . . . . 0.0 112.417 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.4 t -168.68 22.81 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.959 -179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.884 0.374 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.71 91.09 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.806 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.23 67.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 71.65 72.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.799 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.63 -23.47 1.03 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.615 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.61 -31.66 16.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 39.4 p-10 -69.4 -45.69 68.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.008 0.433 . . . . 0.0 110.145 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.501 ' HA ' HD12 ' A' ' 11' ' ' ILE . 2.6 tmmm? -65.3 -39.4 92.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.869 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -60.73 -39.78 89.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.95 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -45.14 88.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 8' ' ' LYS . 16.2 mt -64.17 -51.51 67.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.194 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 t -65.6 -37.75 87.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.7 95.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.017 0.436 . . . . 0.0 110.139 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.69 -37.38 61.6 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.333 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.856 HD11 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -69.06 -39.74 78.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 110.254 179.329 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.4 tttm -65.78 -53.1 44.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.174 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -55.58 -38.68 69.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.946 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.92 -44.56 97.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.603 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.6 p -62.86 -38.73 91.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.0 t -68.82 -42.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.193 0.521 . . . . 0.0 109.889 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.932 HD11 ' CH2' ' A' ' 44' ' ' TRP . 2.7 tp -62.47 -43.19 99.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.88 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.878 HD21 ' CG ' ' A' ' 81' ' ' PHE . 1.2 tt -64.46 -34.96 79.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.831 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 19.9 p30 -82.81 -27.92 30.59 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.471 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.0 pt20 -65.49 2.88 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.534 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.1 mp0 -64.34 176.63 1.01 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 26' ' ' VAL . 14.8 p -99.76 50.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 92.2 m-85 -66.02 85.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.422 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -169.7 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.045 0.45 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -126.0 99.13 5.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.985 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.899 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -71.2 164.62 25.3 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.635 ' O ' HG12 ' A' ' 32' ' ' VAL . 26.6 mt 123.12 -172.38 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 112.955 -1.93 . . . . 0.0 107.757 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER 87.07 16.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 118.523 0.601 . . . . 0.0 111.247 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p 63.24 135.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.838 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.61 -29.51 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.33 -36.29 79.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.438 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.91 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.21 -53.74 48.34 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.0 tpp -60.25 -47.49 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.7 t -56.41 -44.99 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.763 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.0 m -64.1 -32.65 74.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.276 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 36' ' ' ASP . 39.3 t -67.5 -46.2 83.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.703 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.862 HG22 ' CE2' ' A' ' 81' ' ' PHE . 17.0 t -59.43 -52.61 58.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.569 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 45' ' ' MET . 2.4 tt0 -60.96 -41.2 95.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.646 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -49.48 74.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.674 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.932 ' CH2' HD11 ' A' ' 21' ' ' LEU . 40.2 m0 -59.4 -48.73 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.417 ' HG3' ' HA ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -52.83 -49.01 66.58 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.425 -179.219 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -64.48 -39.83 94.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.83 -36.27 83.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.356 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.419 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 3.6 m-85 -68.2 -50.49 53.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.803 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.456 HD11 HD13 ' A' ' 74' ' ' LEU . 1.4 mp -57.35 -52.7 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.336 . . . . 0.0 110.795 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.07 -40.63 81.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.902 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -73.49 -49.74 25.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.848 0.356 . . . . 0.0 111.585 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.925 ' CD2' HD21 ' A' ' 70' ' ' LEU . 18.0 m-85 -57.42 -37.53 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.19 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.891 ' HG2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -51.2 -37.48 46.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.16 -5.72 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.097 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.39 23.44 10.2 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.67 0.272 . . . . 0.0 111.466 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.852 HG12 ' H ' ' A' ' 58' ' ' GLY . 24.3 t -97.35 -85.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.075 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.8 p 89.01 -2.3 0.4 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.223 0.609 . . . . 0.0 111.432 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.852 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -86.13 -177.69 49.9 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 3.7 pm0 -71.3 165.17 50.95 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 117.84 0.82 . . . . 0.0 111.182 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.486 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 4.1 Cg_endo -46.1 -31.75 9.14 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.845 2.364 . . . . 0.0 112.574 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 26.4 tt0 -73.13 -46.77 49.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -43.73 98.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.838 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.608 ' HA ' HG11 ' A' ' 56' ' ' VAL . 24.0 mtt180 -65.69 -51.21 61.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.127 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.64 -50.61 68.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.344 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -53.22 -47.36 69.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.326 -179.364 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.25 60.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.238 0.542 . . . . 0.0 109.672 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.891 HD11 ' HG2' ' A' ' 53' ' ' ARG . 19.7 mt -53.45 -34.89 59.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.971 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -50.23 41.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.704 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -28.39 69.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.163 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.925 HD21 ' CD2' ' A' ' 52' ' ' TYR . 1.5 tp -68.74 -49.45 58.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.407 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -60.84 -43.1 98.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.757 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -65.12 -44.22 89.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.856 ' CG ' HD11 ' A' ' 15' ' ' LEU . 6.9 mm-40 -63.1 -39.53 94.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.456 HD13 HD11 ' A' ' 49' ' ' ILE . 7.1 mt -67.54 -39.4 85.0 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.185 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' ASN . 22.0 m-80 -62.58 -50.28 71.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.207 0.527 . . . . 0.0 109.715 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 73' ' ' GLU . 8.9 t -60.91 -38.18 84.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.631 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.762 HD11 HD23 ' A' ' 15' ' ' LEU . 10.4 mt -78.44 -33.89 48.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.298 0.571 . . . . 0.0 110.424 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.73 -28.88 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.394 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.602 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.37 -44.01 98.73 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.132 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 39.2 Cg_endo -66.7 -25.86 46.21 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 121.323 1.349 . . . . 0.0 111.277 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.878 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.2 t80 -70.27 -44.04 69.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.775 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -36.87 68.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.521 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . . . -76.46 -35.59 58.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.24 0.543 . . . . 0.0 110.131 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -66.14 -40.68 90.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.737 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.481 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 0.6 OUTLIER -74.94 -42.34 57.88 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.709 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -60.51 -38.57 84.78 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.016 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 86' ' ' ARG . 1.9 t70 -71.39 -37.01 71.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.899 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -61.19 -50.32 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.462 179.304 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.838 HD12 ' HB3' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -70.04 -27.47 64.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.328 -179.742 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -7.68 54.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.732 0.301 . . . . 0.0 110.872 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.4 t -81.89 -55.4 4.63 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -59.92 112.21 1.77 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.762 0.792 . . . . 0.0 111.863 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.89 -173.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.371 -1.286 . . . . 0.0 113.35 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.621 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -47.92 101.92 0.29 Allowed Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 114.007 -1.451 . . . . 0.0 111.223 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -92.34 -167.41 0.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.058 2.506 . . . . 0.0 112.709 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.35 -166.17 2.0 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -98.06 138.96 20.98 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.34 136.67 7.81 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.652 2.235 . . . . 0.0 112.604 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.98 133.0 9.83 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.647 2.232 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.16 -55.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.286 1.991 . . . . 0.0 112.777 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -64.65 -63.23 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 111.136 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.884 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.677 0.275 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.53 26.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.467 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.824 HD12 ' OD1' ' A' ' 7' ' ' ASN . 0.2 OUTLIER -61.39 -28.64 69.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.834 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 3' ' ' LEU . 1.7 mt 98.71 117.08 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.455 0.702 . . . . 0.0 110.416 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -31.22 11.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.193 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.33 -38.4 52.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.825 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.824 ' OD1' HD12 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -73.91 -46.26 45.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.282 -179.817 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -29.84 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -43.48 62.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.076 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -43.57 84.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.856 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.4 -51.26 70.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -66.86 -38.59 86.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.557 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . -60.99 -35.21 76.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 109.972 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.09 -36.25 51.8 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.404 -0.903 . . . . 0.0 110.966 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.951 HD23 HD11 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -69.62 -40.6 76.48 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-O 120.603 0.239 . . . . 0.0 110.81 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.931 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -68.02 -53.19 27.69 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.753 0.311 . . . . 0.0 110.623 -179.524 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -57.91 -37.44 74.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.792 ' CZ ' HD11 ' A' ' 22' ' ' LEU . 23.4 t80 -70.47 -43.41 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.754 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -42.88 90.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.212 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.2 t -74.4 -28.96 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.082 0.468 . . . . 0.0 109.816 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -63.34 -44.73 94.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.877 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.792 HD11 ' CZ ' ' A' ' 18' ' ' PHE . 60.4 mt -82.57 -49.35 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 111.638 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' GLN . 57.8 m-20 -68.83 -16.67 63.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 2.9 tp-100 -23.91 -73.14 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.048 -0.978 . . . . 0.0 113.373 -178.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -54.78 152.98 6.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.106 0.479 . . . . 0.0 112.131 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.5 p -83.98 88.68 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -62.01 116.6 5.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.359 0.6 . . . . 0.0 111.048 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -134.68 -66.66 0.59 Allowed 'General case' 0 C--O 1.23 0.068 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.834 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -126.36 91.63 3.4 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.08 88.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.32 -63.39 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.264 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 33' ' ' SER . 14.5 p -32.08 154.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.452 ' N ' HG22 ' A' ' 32' ' ' VAL . 65.2 p -50.4 137.31 18.99 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.971 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.869 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.1 pp20? -74.82 -44.74 47.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.696 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.89 -43.09 69.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.712 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.695 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.2 t70 -56.48 -56.25 23.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.454 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 41.5 tpp -57.97 -42.35 84.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 34' ' ' GLU . 98.3 t -56.43 -45.68 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.685 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -63.24 -37.05 85.7 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.596 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 36' ' ' ASP . 39.2 t -57.68 -36.71 55.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.276 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.806 HG11 HD11 ' A' ' 82' ' ' LEU . 32.4 t -70.72 -47.5 63.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.796 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 45' ' ' MET . 3.8 mt-10 -61.37 -44.14 97.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.867 0.365 . . . . 0.0 110.665 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.9 -46.45 84.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.769 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.5 ' CH2' HD11 ' A' ' 21' ' ' LEU . 16.5 m0 -59.05 -49.41 78.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 1.9 ptm -61.72 -42.06 98.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.09 -44.41 76.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.902 0.382 . . . . 0.0 110.388 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -58.41 -36.56 73.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.442 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.38 -46.29 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.765 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.858 HD11 ' HG3' ' A' ' 71' ' ' ARG . 1.4 tp -57.08 -48.92 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.422 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -66.5 -44.56 82.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.909 0.385 . . . . 0.0 111.071 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.76 -27.58 67.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -84.7 -41.34 16.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.762 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.851 ' HB3' HD11 ' A' ' 67' ' ' LEU . 13.4 ptm180 -58.08 -40.76 81.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.603 0.24 . . . . 0.0 110.999 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -32.78 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 46.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.758 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 63' ' ' ARG . 1.6 t -148.3 89.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 57' ' ' THR . 23.8 m -92.6 27.58 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.79 -171.84 27.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.165 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.38 161.09 4.39 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.491 ' HA ' ' CG ' ' A' ' 63' ' ' ARG . 29.2 Cg_endo -62.16 -26.77 78.08 Favored 'Trans proline' 0 CA--C 1.517 -0.343 0 C-N-CA 122.468 2.112 . . . . 0.0 112.164 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 10.4 mt-30 -72.94 -48.42 37.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -43.59 80.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.139 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.681 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -74.41 -47.66 32.47 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.079 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.54 -40.45 83.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.997 0.427 . . . . 0.0 110.953 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -73.95 -40.96 62.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.73 -32.21 71.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 0.0 110.62 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.851 HD11 ' HB3' ' A' ' 53' ' ' ARG . 3.3 mm? -72.26 -45.93 58.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.689 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' A' ' 65' ' ' LYS . 11.8 pt20 -63.39 -36.58 84.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.046 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -35.76 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.892 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.44 -51.98 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.174 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.858 ' HG3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -60.23 -36.61 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.494 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.479 ' O ' HG22 ' A' ' 76' ' ' THR . 4.6 tp-100 -69.59 -49.3 55.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 8.4 pt-20 -58.53 -43.53 89.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' A' ' 18' ' ' PHE . 39.7 mt -65.94 -41.3 91.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.609 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -67.73 -31.99 72.3 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 72' ' ' GLN . 9.1 t -81.88 -28.42 32.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.507 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.951 HD11 HD23 ' A' ' 15' ' ' LEU . 13.0 mt -81.53 -39.93 23.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.703 ' HB2' ' HZ ' ' A' ' 18' ' ' PHE . . . -78.74 -20.15 50.66 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.444 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.552 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -59.11 -54.94 51.46 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.946 -178.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -60.0 -37.63 83.69 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 121.98 1.786 . . . . 0.0 111.785 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.753 ' CD2' ' HB3' ' A' ' 22' ' ' LEU . 2.9 t80 -67.42 -35.54 79.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.806 HD11 HG11 ' A' ' 41' ' ' VAL . 6.8 mp -77.54 -39.22 46.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.78 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.56 -36.03 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.152 0.501 . . . . 0.0 109.991 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 6.2 ttpm? -69.59 -46.4 66.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.606 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.519 ' O ' HD23 ' A' ' 89' ' ' LEU . 6.1 t80 -61.77 -44.99 95.79 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.822 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.409 ' HE ' HD11 ' A' ' 89' ' ' LEU . 1.1 mmp_? -57.39 -54.48 46.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.958 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -38.77 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.536 0.684 . . . . 0.0 109.477 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -61.19 -51.37 69.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.975 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.606 HD13 ' CB ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -74.24 -24.89 59.37 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.552 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -87.36 -13.84 42.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.46 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -77.38 -59.43 2.78 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -60.19 124.04 19.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.578 0.704 . . . . 0.0 112.295 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -152.11 134.2 15.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.768 -1.106 . . . . 0.0 111.235 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.671 HD12 ' CB ' ' A' ' 97' ' ' HIS . 0.6 OUTLIER -114.73 142.35 28.18 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.571 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.7 -97.86 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 122.436 2.09 . . . . 0.0 112.647 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 5.4 m -60.0 98.46 0.06 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.882 0.372 . . . . 0.0 111.251 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.671 ' CB ' HD12 ' A' ' 94' ' ' LEU . 1.6 m-70 168.66 87.0 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.704 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.73 110.3 2.08 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.582 2.188 . . . . 0.0 112.258 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.47 152.45 38.66 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.442 2.095 . . . . 0.0 112.513 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.64 -176.42 2.0 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.544 2.163 . . . . 0.0 112.234 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.73 174.88 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.589 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 15.9 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 1' ' ' SER . . . 163.47 53.66 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.926 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.643 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -102.38 102.65 13.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.922 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 3' ' ' LEU . 4.0 mt 43.78 103.84 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.037 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.4 -24.24 1.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.576 -179.551 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.53 93.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.021 0.439 . . . . 0.0 110.644 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -63.46 -46.45 86.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.93 -31.6 72.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.941 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -65.45 -49.08 70.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.231 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.24 -46.47 90.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.871 0.367 . . . . 0.0 110.826 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 8' ' ' LYS . 21.1 mt -58.4 -50.6 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -58.98 -37.21 76.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.785 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.753 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -65.68 -45.91 81.09 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.87 79.01 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.005 -1.093 . . . . 0.0 111.224 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.666 HD23 HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -73.86 -40.36 63.3 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.569 0.223 . . . . 0.0 110.774 179.734 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.866 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -69.44 -43.2 73.81 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.774 0.321 . . . . 0.0 110.384 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.75 -46.73 89.32 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.468 ' CE1' HD21 ' A' ' 22' ' ' LEU . 3.4 t80 -55.51 -49.05 73.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.624 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -56.75 -40.47 75.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.247 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 16' ' ' LYS . 3.9 t -61.9 -42.5 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.146 0.498 . . . . 0.0 110.307 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.912 HD21 ' CE3' ' A' ' 44' ' ' TRP . 4.3 tp -58.97 -48.42 81.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.845 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.996 HD22 ' CD2' ' A' ' 81' ' ' PHE . 16.3 mt -59.8 -42.35 93.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.268 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.95 -33.93 71.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.91 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -85.97 62.25 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.056 0.455 . . . . 0.0 110.936 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.686 ' HG3' ' HE3' ' A' ' 37' ' ' MET . 0.5 OUTLIER -110.93 176.59 4.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.459 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . 19.9 t -94.81 62.82 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 121.259 0.552 . . . . 0.0 111.981 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.529 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 69.7 m-85 -64.82 167.3 7.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.641 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 27' ' ' PHE . 1.5 m-80 82.36 -88.48 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.602 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 26.8 m-20 -58.42 159.12 6.6 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.657 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . . . -126.12 71.09 1.24 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.222 -0.299 . . . . 0.0 110.516 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.811 ' O ' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -152.19 56.64 0.83 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.159 0.504 . . . . 0.0 111.493 -178.804 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.926 HG11 ' OH ' ' A' ' 85' ' ' TYR . 13.8 p -133.09 16.15 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.83 112.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.347 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 38' ' ' VAL . 29.9 tt0 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.747 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.7 -35.2 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.764 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.877 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.3 t70 -62.31 -55.45 28.07 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.686 ' HE3' ' HG3' ' A' ' 25' ' ' GLN . 55.7 tpp -59.34 -46.4 88.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 34' ' ' GLU . 84.1 t -57.01 -42.9 80.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.2 m -64.29 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 110.228 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 36' ' ' ASP . 16.7 t -61.32 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.978 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.62 -43.91 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.845 0.355 . . . . 0.0 110.489 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -39.97 94.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.824 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -38.91 83.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.603 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.912 ' CE3' HD21 ' A' ' 21' ' ' LEU . 15.8 m0 -67.33 -48.45 67.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.757 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.55 ' O ' HD12 ' A' ' 49' ' ' ILE . 28.0 ttm -57.99 -48.89 78.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.539 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.38 -41.04 98.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.166 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -67.72 -32.17 72.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.553 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.79 -46.32 58.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 74' ' ' LEU . 1.3 mp -62.08 -40.41 87.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.582 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 12.1 m-80 -68.85 -39.31 79.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.97 -31.87 51.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.891 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.38 -38.28 60.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.586 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.765 ' HB3' HD21 ' A' ' 67' ' ' LEU . 14.3 ptp180 -55.51 -21.58 17.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.572 0.225 . . . . 0.0 111.51 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -75.84 -32.96 60.02 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 111.359 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -86.53 25.97 1.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.927 HG11 ' HA ' ' A' ' 63' ' ' ARG . 9.4 t -94.58 26.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -26.96 -15.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.827 ' N ' ' O ' ' A' ' 56' ' ' VAL . . . -68.15 175.22 28.74 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 176.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.6 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -80.85 177.58 2.92 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 119.503 1.652 . . . . 0.0 111.341 -179.368 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.6 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.7 Cg_endo -44.88 -33.97 8.05 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.949 2.433 . . . . 0.0 113.057 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 7.7 pt20 -69.14 -38.74 78.97 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -67.94 -33.5 74.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.578 178.6 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.927 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -72.02 -55.39 7.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.234 179.339 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -40.58 79.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -76.87 -47.36 21.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.774 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -63.15 -39.16 93.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.046 0.45 . . . . 0.0 110.642 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 53' ' ' ARG . 51.5 mt -69.37 -46.01 67.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.464 ' HG2' ' HA ' ' A' ' 65' ' ' LYS . 6.1 pt20 -64.76 -39.01 92.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.903 0.382 . . . . 0.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.4 -35.82 80.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.22 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -51.78 41.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.096 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -36.03 77.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -65.77 -50.28 65.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.615 ' CB ' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -62.19 -33.54 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.342 179.596 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.559 HD12 HD11 ' A' ' 49' ' ' ILE . 43.8 mt -71.27 -50.99 27.0 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.263 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -61.07 -24.8 66.48 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.755 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.2 m -87.29 -22.85 24.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.76 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.666 HD11 HD23 ' A' ' 15' ' ' LEU . 12.3 mt -87.36 -38.87 15.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.97 0.414 . . . . 0.0 110.29 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.61 -18.25 45.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.24 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.47 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -59.2 -55.85 42.03 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.052 -179.032 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 43.0 Cg_endo -68.5 -29.11 31.3 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.118 1.879 . . . . 0.0 112.494 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.996 ' CD2' HD22 ' A' ' 22' ' ' LEU . 9.5 t80 -73.94 -48.16 32.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.562 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.515 HD11 HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -63.74 -39.71 94.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.481 -179.245 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.604 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . . . -70.62 -46.04 64.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 110.311 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -61.37 -38.99 89.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.861 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.926 ' OH ' HG11 ' A' ' 32' ' ' VAL . 6.0 t80 -72.47 -43.6 63.47 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.352 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.604 ' HG2' ' HA ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -59.58 -31.76 69.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.173 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 86' ' ' ARG . 0.7 OUTLIER -75.57 -35.02 60.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.038 178.672 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -65.62 -41.99 92.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.875 178.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.647 HD12 ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -74.61 -39.35 62.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.798 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -2.28 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.7 p -71.97 -1.0 12.92 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.657 ' NE2' ' HB3' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -60.13 174.28 0.54 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.037 -0.414 . . . . 0.0 110.976 -179.611 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.88 -50.78 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 pp -143.9 142.27 20.1 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.1 -88.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.092 . . . . 0.0 112.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.09 99.87 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.819 0.342 . . . . 0.0 111.019 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.409 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 13.6 p-80 -106.11 141.68 23.26 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.781 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -86.35 109.11 0.91 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.894 2.396 . . . . 0.0 112.64 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 97' ' ' HIS . 69.5 Cg_endo -92.01 149.77 3.21 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.884 2.39 . . . . 0.0 112.529 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.28 169.4 22.35 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.472 2.115 . . . . 0.0 112.003 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.74 -3.7 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.536 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.874 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.823 0.344 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -48.69 171.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.486 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.53 ' C ' HD12 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -157.05 42.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 3' ' ' LEU . 4.7 mp 69.63 71.73 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.732 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -51.79 -22.55 3.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.713 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.34 -40.5 59.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 0.0 111.45 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -70.18 -46.53 64.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.237 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -27.13 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.675 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -71.96 -46.47 57.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.113 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.27 -43.71 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.917 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 mt -63.73 -51.56 68.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.578 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -34.81 76.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.659 0.266 . . . . 0.0 110.982 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.96 93.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 109.901 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.06 -35.78 89.64 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.39 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.91 -40.08 87.58 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.064 0.459 . . . . 0.0 110.084 179.402 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.835 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.9 tttt -68.48 -53.07 25.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.064 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.44 -43.09 75.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.718 ' CD1' HD11 ' A' ' 22' ' ' LEU . 4.6 t80 -66.33 -43.7 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.636 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -41.85 90.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -68.52 -40.5 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.488 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.978 HD11 ' CH2' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -56.55 -47.53 79.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.203 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.758 HD22 ' CD2' ' A' ' 81' ' ' PHE . 3.9 mt -73.37 -38.25 65.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.687 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -65.91 -19.24 65.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 21' ' ' LEU . 7.1 pt20 -88.31 57.06 4.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 111.79 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.8 mp0 -110.54 176.75 4.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.09 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 26' ' ' VAL . 17.0 t -97.05 50.55 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 59.3 m-85 -63.07 87.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.999 0.904 . . . . 0.0 110.284 -178.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.424 ' N ' ' CE2' ' A' ' 88' ' ' PHE . 56.9 t30 175.72 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 113.733 -1.576 . . . . 0.0 108.018 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.26 161.11 19.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 113.99 -1.459 . . . . 0.0 107.309 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -124.14 160.29 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 119.287 0.949 . . . . 0.0 109.505 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.849 HD22 ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER 173.44 165.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.586 0.231 . . . . 0.0 110.441 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.849 ' HB ' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER 61.63 128.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.8 m -53.64 157.81 2.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 38' ' ' VAL . 35.9 tt0 -55.43 -44.67 76.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.62 -30.09 65.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.713 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.5 -55.14 30.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.178 179.582 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.528 ' HE2' ' HZ ' ' A' ' 81' ' ' PHE . 4.1 tpt -57.94 -48.5 79.75 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 34' ' ' GLU . 98.6 t -56.18 -44.42 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.63 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.3 m -63.63 -37.95 89.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 109.921 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 36' ' ' ASP . 59.9 t -55.0 -51.53 52.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.554 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.68 -32.77 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.956 0.408 . . . . 0.0 110.091 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -44.11 91.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.415 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 2.3 p30 -73.05 -39.04 66.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.694 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.978 ' CH2' HD11 ' A' ' 21' ' ' LEU . 35.7 m0 -62.66 -49.63 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.969 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.2 ttm -60.7 -48.99 79.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.589 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -63.78 -42.19 97.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.516 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -63.52 -35.72 81.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.548 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.9 -48.79 62.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.0 mm -58.31 -48.47 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.001 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -60.01 -47.83 84.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.094 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -63.25 -49.49 73.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.912 ' O ' HG23 ' A' ' 56' ' ' VAL . 6.7 m-85 -61.92 -36.77 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.56 ' HA ' HD21 ' A' ' 67' ' ' LEU . 40.3 tpt85 -52.91 -37.41 60.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.98 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -26.17 20.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.22 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -78.88 -18.56 53.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.885 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 52' ' ' TYR . 93.9 t -69.39 -87.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 121.136 -0.226 . . . . 0.0 111.108 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.641 HG22 ' H ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER 87.91 -168.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.694 0.397 . . . . 0.0 110.09 -179.026 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 57' ' ' THR . . . 80.39 -172.68 54.68 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.678 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 4.3 mt-10 -56.92 167.79 0.99 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 117.12 0.46 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 30.7 Cg_endo -63.57 -28.25 69.9 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.466 2.111 . . . . 0.0 112.595 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -68.82 -48.06 64.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.973 0.416 . . . . 0.0 110.097 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.91 -40.58 84.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.785 ' HA ' HG11 ' A' ' 56' ' ' VAL . 29.2 mtt180 -73.52 -55.06 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.91 -38.6 76.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.555 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -72.36 -47.25 50.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.811 0.339 . . . . 0.0 111.273 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.72 89.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.119 0.485 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 63' ' ' ARG . 4.3 mm? -68.37 -45.97 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.147 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 1.1 pp0? -64.54 -32.35 73.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.528 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 5.5 mt-10 -69.46 -40.81 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.078 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.849 HD12 HD11 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -65.94 -51.81 55.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.005 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 ttm105 -57.58 -34.92 69.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.034 0.445 . . . . 0.0 110.132 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.429 ' HA ' ' ND2' ' A' ' 75' ' ' ASN . 4.6 tp-100 -72.08 -50.5 27.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.037 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.734 ' OE1' HD12 ' A' ' 77' ' ' LEU . 1.2 pp20? -59.37 -40.24 85.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.036 0.446 . . . . 0.0 110.234 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.849 HD11 HD12 ' A' ' 70' ' ' LEU . 37.9 mt -64.96 -46.92 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.935 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 76' ' ' THR . 25.8 p30 -65.94 -31.09 71.81 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.321 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.487 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 14.3 t -82.82 -28.45 30.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.468 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.734 HD12 ' OE1' ' A' ' 73' ' ' GLU . 12.0 mt -79.95 -41.67 25.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.421 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.66 -21.18 61.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.5 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -59.08 -56.43 36.19 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.329 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 22.8 Cg_endo -61.57 -37.0 73.22 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.121 1.881 . . . . 0.0 112.476 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.758 ' CD2' HD22 ' A' ' 22' ' ' LEU . 4.1 t80 -63.8 -34.87 78.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -35.09 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.46 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.35 -37.77 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.11 0.481 . . . . 0.0 109.986 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HD3' ' CE1' ' A' ' 27' ' ' PHE . 2.7 tttm -63.96 -45.78 87.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.365 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.426 ' CD2' ' HG2' ' A' ' 37' ' ' MET . 2.5 t80 -67.17 -38.92 86.24 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.648 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -60.59 -37.68 82.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.048 0.451 . . . . 0.0 110.342 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -39.33 71.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.528 ' HE1' ' HB2' ' A' ' 30' ' ' ALA . 8.9 t80 -73.78 -28.17 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.709 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -48.02 33.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.631 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -26.1 47.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.519 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.3 m -80.66 -53.03 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.502 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.484 ' NE2' HD11 ' A' ' 94' ' ' LEU . 5.1 t60 -61.65 119.44 8.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.241 0.543 . . . . 0.0 111.995 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -110.25 131.25 55.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.874 179.113 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.557 ' H ' ' HD2' ' A' ' 95' ' ' PRO . 93.5 mt -160.63 -57.41 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.557 ' HD2' ' H ' ' A' ' 94' ' ' LEU . 35.4 Cg_endo -64.78 56.7 0.26 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.639 2.226 . . . . 0.0 113.841 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 1.3 t -74.47 -39.45 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.412 . . . . 0.0 110.246 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.488 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 15.8 m80 -166.66 48.85 0.18 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.653 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.504 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 1.8 Cg_endo -44.58 -57.31 2.08 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.019 2.479 . . . . 0.0 113.188 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 98' ' ' PRO . 6.2 Cg_endo -48.91 105.6 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.51 2.14 . . . . 0.0 112.434 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.05 94.14 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.519 2.146 . . . . 0.0 112.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.15 168.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.767 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.849 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.839 0.352 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.01 31.38 5.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER 169.71 -41.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.346 179.76 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mt 54.5 101.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.208 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.57 -34.92 12.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.895 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.94 -33.6 25.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.217 0.532 . . . . 0.0 110.224 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.15 -39.82 65.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.854 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -40.16 92.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.221 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.79 -41.44 97.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.742 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -45.9 91.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.461 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.664 HG22 HD13 ' A' ' 15' ' ' LEU . 16.5 mm -65.1 -51.57 64.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.3 t -60.6 -41.96 95.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.644 0.259 . . . . 0.0 111.169 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.88 89.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.98 0.419 . . . . 0.0 110.208 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -75.05 -30.64 58.82 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.33 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD21 ' HG2' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -72.41 -39.85 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.019 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 20' ' ' VAL . 17.5 ttmt -65.64 -53.11 45.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.192 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 2.4 pp20? -56.17 -39.22 72.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.971 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.938 ' CE2' HD11 ' A' ' 22' ' ' LEU . 6.8 t80 -60.83 -49.09 78.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.019 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.09 -38.71 80.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.379 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.4 t -67.73 -32.45 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.126 0.488 . . . . 0.0 110.242 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.959 HD11 ' CH2' ' A' ' 44' ' ' TRP . 9.2 tp -77.06 -45.17 27.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.938 HD11 ' CE2' ' A' ' 18' ' ' PHE . 80.8 mt -66.08 -34.3 77.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' A' ' 25' ' ' GLN . 8.6 m-80 -85.59 -26.73 25.94 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -60.26 14.13 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 14.2 mm-40 -82.77 176.79 9.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 118.238 0.472 . . . . 0.0 110.253 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 26' ' ' VAL . 19.3 t -103.03 50.95 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 25' ' ' GLN . 2.2 m-85 -62.64 93.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.393 0.616 . . . . 0.0 110.401 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -156.88 -50.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.475 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.43 108.03 10.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.906 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 89' ' ' LEU . . . -71.45 109.93 5.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.923 0.868 . . . . 0.0 112.901 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.576 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 1.8 mp -170.79 170.08 6.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 113.745 -1.571 . . . . 0.0 107.612 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.576 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 1.3 p 112.87 -53.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.246 0.619 . . . . 0.0 111.786 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 11.2 t 146.44 129.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.797 0.439 . . . . 0.0 110.579 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.695 ' O ' HG23 ' A' ' 38' ' ' VAL . 15.5 tp10 -74.7 -47.01 33.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.66 -29.7 70.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.815 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.89 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.5 t70 -63.39 -56.15 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.429 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.465 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 52.8 tpp -58.05 -47.04 84.34 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 34' ' ' GLU . 78.0 t -56.63 -44.86 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.162 -178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -34.22 77.51 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-O 120.989 0.423 . . . . 0.0 110.388 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 36' ' ' ASP . 29.6 t -63.73 -48.97 84.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.05 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.661 HG22 ' HE2' ' A' ' 81' ' ' PHE . 31.3 t -59.94 -47.59 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -41.08 98.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.395 . . . . 0.0 110.698 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -60.99 -50.32 73.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.31 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.959 ' CH2' HD11 ' A' ' 21' ' ' LEU . 49.8 m0 -61.19 -48.78 79.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.509 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.539 ' O ' HD12 ' A' ' 49' ' ' ILE . 23.3 ttp -55.76 -48.83 74.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.783 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -63.47 -39.64 94.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.827 0.346 . . . . 0.0 110.959 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -65.82 -38.53 89.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.423 . . . . 0.0 110.455 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 2.5 m-85 -65.49 -48.4 72.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.029 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.609 HG23 HD12 ' A' ' 67' ' ' LEU . 1.3 mp -59.1 -48.0 88.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.759 0.314 . . . . 0.0 110.786 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.408 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -61.43 -35.32 77.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.457 -179.602 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -82.21 -30.68 30.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.535 ' HD2' HD21 ' A' ' 70' ' ' LEU . 4.4 m-85 -76.02 -40.52 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.569 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.959 ' HA ' HD21 ' A' ' 67' ' ' LEU . 4.2 ptm85 -53.4 -30.16 38.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 111.081 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -80.8 -15.18 57.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.468 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -95.48 23.5 5.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.783 0.325 . . . . 0.0 111.475 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.659 HG12 ' H ' ' A' ' 58' ' ' GLY . 14.1 t -98.99 -83.94 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.041 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.604 HG23 ' C ' ' A' ' 56' ' ' VAL . 2.5 p 88.06 4.51 0.27 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.096 0.558 . . . . 0.0 111.605 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.659 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -86.92 -179.85 48.8 Favored Glycine 0 C--N 1.331 0.302 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.46 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 3.7 pm0 -67.45 162.71 53.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 117.817 0.809 . . . . 0.0 110.717 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 5.3 Cg_endo -47.09 -32.32 13.25 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.751 2.301 . . . . 0.0 112.699 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.47 -47.96 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.488 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -35.89 82.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.469 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HA ' HG11 ' A' ' 56' ' ' VAL . 4.5 ttm180 -70.85 -49.85 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.743 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -36.11 77.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -64.73 -47.33 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.507 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.35 -53.0 59.45 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.727 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.959 HD21 ' HA ' ' A' ' 53' ' ' ARG . 3.4 mm? -53.53 -31.95 48.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.648 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -71.96 -41.64 67.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -69.32 -37.38 77.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.251 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.535 HD21 ' HD2' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -66.87 -45.42 78.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.144 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -43.14 98.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.516 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -62.53 -49.45 75.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.774 ' HG2' HD21 ' A' ' 15' ' ' LEU . 1.7 mt-10 -60.16 -43.8 95.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.425 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 HD11 ' A' ' 49' ' ' ILE . 5.1 mt -59.96 -43.85 94.81 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.411 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -64.79 -36.4 84.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 12.0 m -67.97 -39.53 83.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.362 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.466 HD11 HD23 ' A' ' 15' ' ' LEU . 51.4 mt -79.46 -37.13 37.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.362 0.601 . . . . 0.0 109.965 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.545 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -76.07 -26.35 56.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.196 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.527 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.4 m-20 -58.47 -53.91 61.31 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.113 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 31.7 Cg_endo -63.8 -31.37 68.38 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 121.826 1.684 . . . . 0.0 111.964 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.782 ' CD2' HD22 ' A' ' 22' ' ' LEU . 10.9 t80 -74.34 -49.75 21.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.241 0.543 . . . . 0.0 111.141 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 tt -73.08 -35.09 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.597 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 86' ' ' ARG . . . -76.74 -37.95 55.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 110.721 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -70.9 -35.04 72.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.947 179.295 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.542 ' O ' HD12 ' A' ' 89' ' ' LEU . 30.3 t80 -73.09 -48.13 38.42 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.869 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.619 ' O ' HD13 ' A' ' 89' ' ' LEU . 11.1 ptm180 -59.75 -41.54 91.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.493 0.663 . . . . 0.0 109.849 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' SER . 2.4 m-20 -70.54 -31.83 69.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.216 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 66.6 t80 -66.85 -52.44 43.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.108 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.707 HD22 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.38 -22.34 57.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.555 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.421 ' N ' HD13 ' A' ' 89' ' ' LEU . 10.9 mmtt -89.08 -14.79 35.51 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.742 0.306 . . . . 0.0 111.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 32.5 t -98.59 -52.29 3.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.887 0.375 . . . . 0.0 111.006 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 122.39 15.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.702 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.46 119.51 10.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.078 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.609 ' H ' ' HD2' ' A' ' 95' ' ' PRO . 3.3 mt -119.34 -64.26 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.609 ' HD2' ' H ' ' A' ' 94' ' ' LEU . 31.1 Cg_endo -63.97 62.85 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.585 2.19 . . . . 0.0 113.385 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t 72.44 175.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.067 0.461 . . . . 0.0 111.504 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.422 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 53.4 p-80 -98.67 158.13 33.03 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.722 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 97' ' ' HIS . 6.0 Cg_endo -48.27 150.98 4.79 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.649 2.233 . . . . 0.0 111.994 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.61 107.25 2.34 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.757 2.304 . . . . 0.0 112.5 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 98' ' ' PRO . 35.5 Cg_endo -94.48 -77.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.22 2.614 . . . . 0.0 112.46 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 1.5 m 80.59 -1.42 1.89 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.636 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.1 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.01 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.6 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 40.8 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.441 0.162 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.6 ' CB ' ' O ' ' A' ' 1' ' ' SER . . . 106.57 123.27 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.219 0.608 . . . . 0.0 110.902 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.495 HD22 ' O ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER -140.34 -164.0 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.53 -179.699 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.435 HD22 ' OE2' ' A' ' 59' ' ' GLU . 9.2 mp -90.81 127.38 36.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.629 0.252 . . . . 0.0 110.363 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -48.7 -28.22 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.469 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.48 81.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.86 -46.54 68.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.667 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -65.29 -37.11 86.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.385 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.87 -48.82 78.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.337 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -45.41 93.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.283 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.523 HG22 HD13 ' A' ' 15' ' ' LEU . 15.7 mt -62.4 -51.26 74.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.331 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.3 m -64.48 -35.83 82.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.298 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.86 71.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.753 0.311 . . . . 0.0 110.617 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.73 -34.63 83.71 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.524 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -68.9 -39.79 79.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 110.213 179.46 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.717 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -62.4 -53.13 59.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.412 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.31 -41.45 79.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.5 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.63 ' CE2' HD12 ' A' ' 22' ' ' LEU . 39.2 t80 -59.67 -40.49 87.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -41.57 82.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.525 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.7 t -63.79 -36.92 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.144 0.497 . . . . 0.0 110.781 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.775 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -79.25 -42.35 26.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.838 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.96 HD21 ' CG ' ' A' ' 81' ' ' PHE . 5.2 tt -65.83 -36.59 83.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.04 -0.42 44.29 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.03 21.31 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.622 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 46.2 mm-40 -76.72 176.77 8.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.713 0.292 . . . . 0.0 110.964 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.02 HG11 HD21 ' A' ' 31' ' ' LEU . 14.6 p -106.46 51.47 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 98.5 m-85 -62.74 85.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.858 0.837 . . . . 0.0 110.447 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 175.27 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.137 -1.392 . . . . 0.0 107.738 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.57 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.7 m-20 -126.15 160.69 29.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 177.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.768 ' C ' HD23 ' A' ' 31' ' ' LEU . . . -124.78 156.87 37.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 119.868 1.213 . . . . 0.0 109.38 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.02 HD21 HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -139.71 6.77 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.696 -0.402 . . . . 0.0 112.052 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 33' ' ' SER . 9.9 p -170.36 161.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.923 0.392 . . . . 0.0 111.719 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.475 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -62.74 165.43 6.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.138 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.87 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.3 pm0 -66.6 -34.95 79.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -37.8 76.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.6 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.906 ' O ' HG23 ' A' ' 40' ' ' VAL . 21.9 t70 -58.67 -53.71 55.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.273 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.775 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -57.91 -43.32 86.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.853 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 34' ' ' GLU . 98.3 t -56.43 -44.68 80.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.999 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.8 m -68.99 -38.03 79.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 110.157 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 36' ' ' ASP . 36.9 t -60.51 -49.6 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.599 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 37' ' ' MET . 21.3 t -59.39 -48.03 88.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.371 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -38.88 90.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.73 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -51.23 68.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.974 0.416 . . . . 0.0 110.348 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.723 ' CH2' HD11 ' A' ' 21' ' ' LEU . 50.7 m0 -58.89 -47.34 85.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.773 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 41.1 ttp -60.69 -45.12 95.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -66.38 -43.26 86.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.016 0.436 . . . . 0.0 110.447 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 52.8 t80 -63.84 -36.2 83.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.721 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -75.1 -46.07 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 50' ' ' ASN . 3.6 tp -61.01 -45.23 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.999 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -67.88 -48.01 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.291 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 47' ' ' PHE . 10.3 t80 -59.96 -46.1 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.636 ' CD2' HD21 ' A' ' 70' ' ' LEU . 16.6 m-85 -68.61 -30.91 69.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.699 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.64 ' HA ' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -53.81 -32.48 52.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -82.03 -32.65 30.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -68.36 50.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.251 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.691 HG11 ' CA ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -147.67 177.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.161 179.696 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.538 ' HB ' ' O ' ' A' ' 56' ' ' VAL . 4.2 t 143.91 -15.97 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.994 0.809 . . . . 0.0 110.827 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . -70.75 0.65 26.91 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.009 -0.615 . . . . 0.0 114.135 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 1.4 pt-20 153.74 149.21 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 117.431 0.615 . . . . 0.0 111.308 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.88 -31.29 84.9 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.363 2.042 . . . . 0.0 110.657 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG3' ' HG3' ' A' ' 65' ' ' LYS . 16.3 tt0 -69.45 -29.79 67.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.579 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.513 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -71.03 -53.15 15.76 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.938 179.123 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.691 ' CA ' HG11 ' A' ' 56' ' ' VAL . 4.3 ptp180 -64.5 -54.9 25.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.464 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.79 -44.66 82.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.966 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 61' ' ' GLN . 3.1 mmpt? -77.39 -36.84 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.705 0.288 . . . . 0.0 111.632 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -66.33 -49.68 66.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 0.0 110.551 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.64 HD21 ' HA ' ' A' ' 53' ' ' ARG . 4.0 mm? -67.09 -42.2 85.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -68.44 -38.68 81.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 110.485 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -69.55 -32.77 71.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.019 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.636 HD21 ' CD2' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -70.16 -51.97 27.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -57.29 -36.48 71.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.685 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -74.51 -50.53 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.708 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.638 ' HB3' HD21 ' A' ' 15' ' ' LEU . 56.3 mm-40 -56.63 -51.04 70.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.076 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.62 -48.75 80.45 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.581 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -57.85 -26.99 62.81 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.467 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -85.25 -23.34 28.26 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.593 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.38 -49.05 11.14 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.234 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.04 -21.82 64.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.277 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.447 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -58.62 -59.57 13.18 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.688 -178.531 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 34.2 Cg_endo -64.24 -25.73 64.7 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.18 1.92 . . . . 0.0 112.355 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.96 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.4 t80 -73.31 -47.53 41.95 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.943 0.402 . . . . 0.0 111.216 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.736 HD11 HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.85 -39.76 94.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.062 -179.65 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.71 -34.76 69.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.042 0.449 . . . . 0.0 110.01 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.401 ' HA ' ' OD2' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -64.79 -45.21 87.26 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.746 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.444 ' CE2' ' CG ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -74.58 -28.74 61.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.897 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -72.21 -41.79 66.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.547 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 91' ' ' SER . 0.1 OUTLIER -69.14 -41.89 76.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 1.5 t80 -70.61 -35.07 72.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.461 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.66 HD12 ' HB3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -74.14 -44.84 52.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.494 179.724 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -26.22 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 73.3 p -71.12 4.1 2.99 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.57 112.36 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.469 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER 56.76 92.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.439 -179.53 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.578 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 7.3 mt 118.03 147.57 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 124.113 0.965 . . . . 0.0 110.045 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.527 ' O ' ' C ' ' A' ' 96' ' ' SER . 83.5 Cg_endo -79.16 -37.06 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.714 2.276 . . . . 0.0 113.188 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.527 ' C ' ' O ' ' A' ' 95' ' ' PRO . 3.2 t 8.71 73.27 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.475 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 1.3 t60 176.72 -59.39 0.0 OUTLIER Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.655 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 97' ' ' HIS . 11.0 Cg_endo -55.16 167.35 1.79 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.468 2.112 . . . . 0.0 112.803 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' CB ' ' HD2' ' A' ' 100' ' ' PRO . 36.7 Cg_endo -65.37 173.59 6.18 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.867 2.378 . . . . 0.0 112.426 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 99' ' ' PRO . 12.1 Cg_endo -55.81 -161.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.703 2.269 . . . . 0.0 112.303 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.9 p -130.82 109.23 10.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.861 0.362 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.49 -89.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.044 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.606 ' H ' HD12 ' A' ' 3' ' ' LEU . 2.2 mp -59.25 -161.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.56 148.17 22.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.146 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -48.49 -28.64 3.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.743 0.306 . . . . 0.0 111.085 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.58 -46.53 66.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.095 0.474 . . . . 0.0 110.341 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.585 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.3 m-20 -73.54 -45.27 54.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.267 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -60.97 -43.57 98.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.343 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.73 -43.66 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.194 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -45.54 85.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.899 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 7' ' ' ASN . 1.7 mp -64.52 -51.5 67.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.306 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -60.43 -41.95 95.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.82 92.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.0 110.291 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.13 -28.57 71.41 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.653 -0.785 . . . . 0.0 111.528 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CG ' ' HB2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -72.21 -39.83 68.28 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.638 0.256 . . . . 0.0 110.865 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.902 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -71.13 -43.23 68.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.76 0.314 . . . . 0.0 110.961 -179.62 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.561 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 5.1 tt0 -63.58 -44.3 94.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.318 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.873 ' CE2' HD11 ' A' ' 22' ' ' LEU . 10.4 t80 -64.8 -43.53 92.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.738 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 p -63.18 -41.67 99.24 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 16' ' ' LYS . 5.3 t -69.74 -41.25 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.309 0.576 . . . . 0.0 110.238 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.836 HD11 ' CH2' ' A' ' 44' ' ' TRP . 2.8 tp -61.03 -49.05 78.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.025 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.873 HD11 ' CE2' ' A' ' 18' ' ' PHE . 90.3 mt -69.26 -31.9 70.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.949 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.496 ' C ' ' H ' ' A' ' 25' ' ' GLN . 18.7 m-80 -84.06 -32.2 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.585 ' HG3' HG12 ' A' ' 20' ' ' VAL . 6.3 mt-30 -59.28 24.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.496 ' H ' ' C ' ' A' ' 23' ' ' ASN . 15.8 mm-40 -88.07 176.78 7.14 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.894 -0.504 . . . . 0.0 109.945 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 26' ' ' VAL . 35.4 m -102.45 50.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 31.5 m-85 -62.93 101.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.388 0.613 . . . . 0.0 110.841 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -170.01 -46.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.785 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.703 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -126.47 101.93 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.284 178.626 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.705 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . . . -71.05 115.41 10.16 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 122.236 1.017 . . . . 0.0 113.109 -175.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 29' ' ' ASP . 0.6 OUTLIER 179.69 160.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 113.272 -1.786 . . . . 0.0 107.941 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.7 p 126.43 -51.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.203 0.601 . . . . 0.0 110.728 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 3.4 t 150.44 129.13 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.929 0.491 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.578 ' HB2' HD21 ' A' ' 89' ' ' LEU . 42.1 tt0 -74.63 -47.19 33.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.969 0.414 . . . . 0.0 111.526 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -28.95 67.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.254 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.881 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.2 m-20 -63.96 -54.58 32.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 0.0 110.137 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.457 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.94 -50.29 73.86 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.632 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 34' ' ' GLU . 53.8 t -56.28 -44.68 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.0 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.577 HG22 ' OD2' ' A' ' 43' ' ' ASP . 45.5 m -63.17 -35.73 81.28 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.416 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 36' ' ' ASP . 45.6 t -62.48 -49.13 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.753 HG22 ' CE2' ' A' ' 81' ' ' PHE . 47.0 t -59.68 -48.85 85.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.759 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -43.59 96.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.757 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.577 ' OD2' HG22 ' A' ' 39' ' ' THR . 0.9 OUTLIER -60.86 -50.66 72.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.836 ' CH2' HD11 ' A' ' 21' ' ' LEU . 45.8 m0 -59.39 -48.62 80.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.964 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.921 ' HG3' HD12 ' A' ' 74' ' ' LEU . 6.5 ttp -55.24 -48.98 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.301 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -62.82 -42.41 99.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -63.86 -33.57 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -69.84 -49.62 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.79 -50.99 77.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -59.76 -43.72 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.367 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -66.47 -49.6 66.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 111.153 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -61.68 -33.63 74.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.41 -38.77 69.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -84.35 -0.61 53.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.579 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.91 30.25 5.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.716 0.293 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' A' ' 63' ' ' ARG . 1.3 t -143.14 118.22 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -160.86 56.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . -135.07 10.56 4.47 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.644 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 1.3 pt-20 147.6 144.62 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.556 0 C-N-CA 123.571 0.748 . . . . 0.0 110.691 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.94 -28.17 76.59 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.217 1.944 . . . . 0.0 110.725 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -71.1 -33.78 70.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.169 178.56 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.644 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -70.69 -41.47 71.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.429 179.251 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HA ' HG11 ' A' ' 56' ' ' VAL . 16.4 mtm180 -73.37 -55.85 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.063 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.56 -41.24 89.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -76.86 -37.19 56.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.881 -179.053 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -74.56 -37.13 63.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.966 0.412 . . . . 0.0 110.769 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.0 mt -72.08 -38.59 69.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.202 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -68.45 -39.95 81.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.94 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -33.84 75.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.827 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.68 -52.1 48.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.223 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -58.85 -37.19 75.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.078 0.466 . . . . 0.0 110.354 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -70.77 -46.58 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.697 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 7.8 pt-20 -68.57 -22.89 64.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.741 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.921 HD12 ' HG3' ' A' ' 45' ' ' MET . 0.1 OUTLIER -79.82 -48.38 13.64 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.957 178.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 55.5 m-80 -67.06 -25.93 66.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.6 m -83.29 -33.14 26.03 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.94 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.4 -33.25 25.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.082 0.467 . . . . 0.0 110.262 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.6 -21.21 38.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.136 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.526 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -59.12 -52.25 76.01 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 -178.498 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 42.9 Cg_endo -68.73 -31.2 26.25 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 121.97 1.78 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.776 ' CD2' HD22 ' A' ' 22' ' ' LEU . 1.7 t80 -71.92 -46.36 57.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.476 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.6 mt -69.69 -39.77 76.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.334 -0.394 . . . . 0.0 112.002 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.08 -35.13 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.019 0.438 . . . . 0.0 110.411 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -67.17 -38.11 84.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.343 179.537 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 37' ' ' MET . 8.0 t80 -71.18 -44.37 65.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.708 0.289 . . . . 0.0 111.216 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -54.46 46.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.027 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -62.3 -38.6 90.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.091 0.472 . . . . 0.0 110.241 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.705 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 26.5 t80 -64.08 -41.72 97.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 34' ' ' GLU . 15.0 tp -74.3 -33.19 63.13 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -89.89 -18.65 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.9 p -52.97 -48.56 67.32 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.653 ' NE2' ' HB3' ' A' ' 30' ' ' ALA . 7.3 p80 -84.94 112.7 20.81 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -133.41 139.25 46.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.459 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -100.79 162.95 19.07 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.696 0.284 . . . . 0.0 110.937 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.28 109.46 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.768 2.312 . . . . 0.0 112.773 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.0 t -120.91 -56.83 1.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.484 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.519 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 6.7 p-80 -162.8 45.81 0.16 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.956 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 97' ' ' HIS . 1.2 Cg_endo -45.96 -56.87 2.53 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.923 2.415 . . . . 0.0 112.924 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 98' ' ' PRO . 17.6 Cg_endo -58.16 113.02 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.432 2.088 . . . . 0.0 112.342 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 101' ' ' SER . 73.9 Cg_endo -75.63 108.56 2.72 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.452 2.102 . . . . 0.0 112.309 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 0.2 OUTLIER 85.94 -27.52 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.58 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.629 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 21.9 p . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.594 0.235 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 1' ' ' SER . . . 95.89 143.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.022 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 2' ' ' ALA . 0.8 OUTLIER 91.3 165.43 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.559 -179.34 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.88 144.48 25.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.248 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.76 -36.83 17.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.279 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.4 -38.19 52.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.971 0.415 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -72.36 -46.61 54.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.766 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -34.12 76.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.593 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -68.95 -44.08 73.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.116 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.521 HD21 ' CD1' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -67.24 -45.17 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.85 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.412 HD11 ' HB1' ' A' ' 66' ' ' ALA . 31.2 mm -63.46 -51.11 74.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.744 0.307 . . . . 0.0 110.749 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 t -65.43 -39.41 92.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.05 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.094 0.473 . . . . 0.0 110.229 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.01 -39.1 59.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.202 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.759 HD11 ' HG3' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -68.17 -39.66 82.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.562 0.22 . . . . 0.0 110.866 179.535 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -65.67 -53.21 44.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.958 0.408 . . . . 0.0 110.472 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.26 -37.3 72.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.282 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.657 ' CE2' HD11 ' A' ' 22' ' ' LEU . 3.4 t80 -68.66 -42.7 77.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.552 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.4 p -61.56 -40.17 93.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.806 0.336 . . . . 0.0 111.101 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 16' ' ' LYS . 8.7 t -71.56 -37.54 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.403 0.621 . . . . 0.0 109.767 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.96 HD11 ' CH2' ' A' ' 44' ' ' TRP . 10.6 tp -61.55 -49.2 77.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.725 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.753 HD22 ' HD2' ' A' ' 81' ' ' PHE . 52.3 mt -69.57 -32.7 71.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.066 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 25' ' ' GLN . 12.9 m-20 -76.84 -34.27 57.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -59.72 21.12 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -81.47 176.64 9.52 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.746 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 26' ' ' VAL . 21.9 t -106.11 50.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.776 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 25' ' ' GLN . 30.4 m-85 -62.6 96.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.782 0.801 . . . . 0.0 110.406 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -171.24 -69.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.421 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.32 92.13 3.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.591 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.689 ' C ' HD22 ' A' ' 31' ' ' LEU . . . -72.88 101.99 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.141 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.689 HD22 ' C ' ' A' ' 30' ' ' ALA . 3.9 mm? -135.27 38.88 2.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.995 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.698 HG22 ' N ' ' A' ' 33' ' ' SER . 0.9 OUTLIER -120.35 -91.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.47 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.698 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -167.39 138.49 3.06 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.926 0.393 . . . . 0.0 111.051 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.748 ' OE2' HD12 ' A' ' 89' ' ' LEU . 4.8 tp10 -74.74 -47.15 32.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.666 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.67 -33.24 75.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.558 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.902 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -61.84 -55.51 29.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.35 . . . . 0.0 110.148 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 37.2 tpp -57.78 -48.78 78.69 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.7 t -56.01 -45.16 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.953 -177.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 m -63.52 -34.74 78.44 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.299 -0.561 . . . . 0.0 110.455 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 36' ' ' ASP . 26.0 t -62.15 -51.18 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.215 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.444 HG22 ' CE2' ' A' ' 81' ' ' PHE . 39.8 t -59.42 -49.29 84.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -44.73 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.11 -41.16 91.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.192 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.96 ' CH2' HD11 ' A' ' 21' ' ' LEU . 31.3 m0 -66.0 -49.14 68.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.879 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.417 ' O ' HD13 ' A' ' 49' ' ' ILE . 30.0 ttm -54.1 -49.01 70.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.325 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -42.18 98.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.947 0.403 . . . . 0.0 110.357 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.487 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 67.6 t80 -60.74 -36.28 78.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.825 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -69.06 -49.17 59.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.182 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.475 HD11 HD12 ' A' ' 74' ' ' LEU . 1.7 mp -57.03 -53.22 45.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.698 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -67.19 -33.46 75.44 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 47' ' ' PHE . 23.3 t80 -73.14 -49.57 27.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.873 0.368 . . . . 0.0 111.206 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.521 ' CD1' HD21 ' A' ' 10' ' ' LEU . 1.3 m-85 -62.2 -35.17 78.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 56' ' ' VAL . 1.8 ttp180 -56.04 -40.31 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -88.51 -6.41 57.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.119 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' OE1' ' CD2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -96.64 37.39 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.965 0.412 . . . . 0.0 111.099 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.851 HG12 ' NH1' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -131.66 -162.16 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 -179.629 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER 175.2 17.49 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 179.196 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.692 ' H ' ' CD ' ' A' ' 63' ' ' ARG . . . -101.67 -167.02 27.37 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 63' ' ' ARG . 1.9 mp0 -59.59 160.34 14.43 Favored Pre-proline 0 CA--C 1.528 0.099 0 CA-C-N 117.567 0.684 . . . . 0.0 111.194 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.05 -30.04 32.77 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.76 2.307 . . . . 0.0 112.971 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -73.07 -44.92 59.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.48 ' HB3' HH21 ' A' ' 63' ' ' ARG . 1.0 OUTLIER -67.67 -42.4 82.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.619 179.512 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.851 ' NH1' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -65.74 -43.8 87.91 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.473 179.332 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.43 -39.89 81.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.138 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -47.58 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.753 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -65.57 -52.08 54.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 53' ' ' ARG . 1.8 mm? -48.53 -39.0 21.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.409 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 3.1 mt-30 -65.78 -50.5 64.49 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.016 0.436 . . . . 0.0 110.361 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.98 -38.02 78.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.296 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -47.48 85.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.176 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -57.73 -50.99 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.186 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 68' ' ' GLN . 2.3 mm100 -57.78 -50.33 73.61 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.81 0.338 . . . . 0.0 111.05 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.759 ' HG3' HD11 ' A' ' 15' ' ' LEU . 8.4 mm-40 -55.37 -49.51 72.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.812 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.494 HD22 ' CZ ' ' A' ' 18' ' ' PHE . 46.5 mt -57.14 -43.35 82.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -65.88 -48.83 70.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.171 0.51 . . . . 0.0 109.841 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.426 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 32.6 m -58.38 -34.08 70.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.391 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -80.09 -48.43 13.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.711 0.767 . . . . 0.0 109.165 178.86 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.43 -28.87 70.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.373 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.453 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -58.31 -58.61 17.65 Favored Pre-proline 0 CA--C 1.53 0.184 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 14.1 Cg_endo -57.48 -31.85 92.52 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 121.756 1.637 . . . . 0.0 112.113 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.753 ' HD2' HD22 ' A' ' 22' ' ' LEU . 2.0 t80 -70.68 -39.79 73.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.566 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.53 -39.61 58.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.452 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.26 66.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.785 0.326 . . . . 0.0 110.688 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 81' ' ' PHE . 13.7 ptmm? -70.96 -37.72 72.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.583 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.29 -39.51 74.81 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.738 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -54.54 37.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.947 0.404 . . . . 0.0 110.033 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -35.82 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.87 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 3.1 t80 -60.92 -49.88 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.748 HD12 ' OE2' ' A' ' 34' ' ' GLU . 58.4 mt -74.1 -26.88 60.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.762 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.787 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.2 mptp? -88.29 -10.48 49.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.272 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.424 ' O ' ' HD2' ' A' ' 95' ' ' PRO . 76.0 p -85.71 -55.27 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.384 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.517 ' O ' ' CB ' ' A' ' 93' ' ' GLU . 7.6 m80 -60.05 122.59 14.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 92' ' ' HIS . 0.7 OUTLIER 97.0 -15.44 0.07 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.97 179.474 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 90' ' ' LYS . 4.2 mt -78.39 -60.92 0.59 Allowed Pre-proline 0 C--N 1.329 -0.291 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.528 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.608 ' O ' ' CB ' ' A' ' 96' ' ' SER . 57.4 Cg_endo -77.38 -87.2 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.354 2.036 . . . . 0.0 112.933 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.608 ' CB ' ' O ' ' A' ' 95' ' ' PRO . 13.3 t 109.69 42.57 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.336 0.654 . . . . 0.0 110.337 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.48 ' CG ' ' HD2' ' A' ' 98' ' ' PRO . 0.1 OUTLIER -134.99 168.22 18.86 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.637 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.48 ' C ' ' CD ' ' A' ' 100' ' ' PRO . 55.4 Cg_endo -68.3 -176.07 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.357 2.038 . . . . 0.0 111.564 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.448 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 59.8 Cg_endo -102.8 37.94 0.05 OUTLIER 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.363 2.709 . . . . 0.0 115.19 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.48 ' CD ' ' C ' ' A' ' 98' ' ' PRO . 84.8 Cg_endo -81.44 152.42 17.83 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.022 1.815 . . . . 0.0 111.813 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.2 p -169.97 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.03 -5.92 56.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.316 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -159.0 -58.8 0.07 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.07 -179.816 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 3' ' ' LEU . 1.7 mt 99.35 115.07 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.569 0.748 . . . . 0.0 110.343 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' HA ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.13 -29.37 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.554 -178.189 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.94 82.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.349 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 11' ' ' ILE . 65.1 t30 -67.84 -46.52 71.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' CG ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -68.41 -39.68 81.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.86 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.528 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 52' ' ' TYR . 1.3 mm? -62.38 -45.78 91.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.43 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 7' ' ' ASN . 16.0 mt -62.96 -51.59 70.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.531 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -67.47 -36.91 82.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.563 0.22 . . . . 0.0 111.222 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.664 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -64.96 -44.65 88.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.967 0.413 . . . . 0.0 110.512 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.18 -34.42 75.54 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.118 -1.039 . . . . 0.0 111.288 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.634 HD11 ' HG3' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -71.75 -40.5 69.31 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 121.236 -0.186 . . . . 0.0 110.656 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.883 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -65.87 -43.3 88.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.835 0.35 . . . . 0.0 110.142 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -40.86 96.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.985 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.826 ' CD2' HD11 ' A' ' 22' ' ' LEU . 7.8 t80 -59.11 -49.09 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.809 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -42.55 90.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.462 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.7 t -63.02 -35.64 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.06 0.457 . . . . 0.0 110.467 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.027 HD11 ' CH2' ' A' ' 44' ' ' TRP . 1.1 tp -72.54 -45.42 59.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.469 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.826 HD11 ' CD2' ' A' ' 18' ' ' PHE . 26.3 mt -63.08 -35.27 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.734 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -6.38 57.13 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -97.22 48.55 1.04 Allowed 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.605 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.8 mp0 -110.96 176.62 4.95 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 26' ' ' VAL . 19.5 t -93.34 50.06 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 60.6 m-85 -63.54 85.62 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.748 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -159.12 -53.93 0.06 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.969 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB3' ' CG ' ' A' ' 97' ' ' HIS . 3.4 p-10 -125.79 92.08 3.53 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.256 0.55 . . . . 0.0 111.611 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.02 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . . . -73.32 166.11 23.79 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -177.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.73 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 4.0 mm? 118.2 71.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.287 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 31' ' ' LEU . 4.3 p 144.58 -52.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 122.977 0.511 . . . . 0.0 111.348 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 37' ' ' MET . 39.0 m -55.33 -21.76 16.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.313 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.623 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.62 -48.27 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.216 -179.341 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -72.99 -53.23 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.294 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.942 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.7 t70 -57.38 -52.21 66.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.47 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.548 ' HB2' ' O ' ' A' ' 33' ' ' SER . 4.0 ttm -57.72 -42.56 84.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.753 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' GLU . 2.4 t -56.68 -45.2 82.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.77 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.13 -37.39 78.29 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 121.074 0.464 . . . . 0.0 110.023 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 36' ' ' ASP . 47.0 t -58.59 -51.59 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.717 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.06 -45.09 96.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.448 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.73 -41.74 98.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.674 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -48.01 70.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.77 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.027 ' CH2' HD11 ' A' ' 21' ' ' LEU . 24.7 m0 -58.75 -48.63 80.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.568 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 31.3 ttm -57.01 -48.08 79.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -61.23 -42.75 99.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -61.92 -34.48 76.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.015 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -72.24 -46.55 55.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.53 -49.94 78.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.045 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -64.72 -47.0 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -60.11 -49.41 77.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.606 ' CE1' HD12 ' A' ' 10' ' ' LEU . 2.9 m-85 -63.22 -31.89 73.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.66 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.77 -37.82 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.784 179.513 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -87.84 -21.75 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.81 31.43 0.96 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.804 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.767 HG11 ' HB2' ' A' ' 63' ' ' ARG . 21.4 t -66.97 -111.8 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 56' ' ' VAL . 21.9 p 126.61 -33.91 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.281 1.032 . . . . 0.0 110.855 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.77 -178.16 42.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.113 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.526 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.5 mp0 -72.26 172.61 7.03 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 122.239 0.216 . . . . 0.0 110.993 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.1 Cg_endo -44.99 -35.75 10.52 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.739 2.293 . . . . 0.0 112.623 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -70.97 -48.18 54.78 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -33.03 73.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.285 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.767 ' HB2' HG11 ' A' ' 56' ' ' VAL . 24.3 ttm180 -74.36 -55.66 5.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.924 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.76 -36.83 72.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.165 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -72.92 -47.13 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.15 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.6 98.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.771 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 63' ' ' ARG . 3.4 mm? -67.73 -41.74 83.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.204 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -69.83 -31.99 70.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.777 0.322 . . . . 0.0 110.759 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -71.69 -36.73 70.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.113 0.482 . . . . 0.0 110.193 179.417 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 HD11 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -65.82 -51.54 58.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.688 178.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -57.62 -43.66 84.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.576 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 6.1 pt20 -64.38 -39.46 93.9 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.59 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.634 ' HG3' HD11 ' A' ' 15' ' ' LEU . 45.1 mm-40 -64.83 -41.92 95.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.522 HD11 HD12 ' A' ' 70' ' ' LEU . 80.1 mt -65.71 -45.09 84.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.0 -35.92 82.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.014 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.496 HG23 HD23 ' A' ' 77' ' ' LEU . 1.6 t -80.04 -25.46 40.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.349 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.496 HD23 HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -80.29 -43.84 20.6 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 179.263 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.8 -19.64 57.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.574 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -58.85 -54.47 56.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.059 -178.607 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 32.2 Cg_endo -65.2 -32.12 52.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 121.931 1.754 . . . . 0.0 112.041 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.72 ' HD2' HD22 ' A' ' 22' ' ' LEU . 1.9 t80 -71.0 -42.31 69.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.99 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.657 ' O ' HD23 ' A' ' 82' ' ' LEU . 6.9 tt -71.42 -40.18 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.456 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' A' ' 86' ' ' ARG . . . -74.95 -33.25 61.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.101 0.477 . . . . 0.0 110.482 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -68.12 -39.74 82.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.135 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.436 ' O ' HD23 ' A' ' 89' ' ' LEU . 1.2 t80 -70.67 -47.84 57.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.461 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -57.45 -42.19 82.02 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.398 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -38.65 91.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.1 t80 -60.21 -51.23 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.421 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.788 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -74.33 -25.53 59.6 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.859 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 1.9 mptt -87.26 -34.13 19.03 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -74.96 -62.12 1.66 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 1.02 ' CE1' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -60.27 149.3 33.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.414 0.625 . . . . 0.0 112.453 -177.806 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -144.55 29.24 1.27 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.615 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.38 101.42 10.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 96' ' ' SER . 55.2 Cg_endo -70.73 168.2 23.5 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.577 2.185 . . . . 0.0 112.805 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 95' ' ' PRO . 6.0 t 100.13 88.34 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.479 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.602 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 0.4 OUTLIER 172.53 -54.88 0.0 OUTLIER Pre-proline 0 CA--C 1.53 0.181 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.18 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 97' ' ' HIS . 1.4 Cg_endo -42.71 171.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.068 2.512 . . . . 0.0 112.946 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 98' ' ' PRO . 4.9 Cg_endo -46.68 166.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.136 2.558 . . . . 0.0 112.772 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.13 119.82 5.47 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.758 2.305 . . . . 0.0 112.555 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.8 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.825 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.951 179.895 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.831 0.348 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -85.33 178.96 7.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.29 87.68 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.0 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 2' ' ' ALA . 11.8 mt -121.98 -3.59 9.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.87 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.69 -40.19 27.3 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.872 0.368 . . . . 0.0 111.152 -179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.07 -34.87 31.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -40.36 88.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.206 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -68.62 -31.12 70.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.466 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 13.5 t0 -65.85 -49.14 69.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.998 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.585 HD11 ' OE1' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -63.64 -44.02 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.947 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.646 HG22 HD13 ' A' ' 15' ' ' LEU . 63.3 mt -61.11 -50.63 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.505 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.6 t -58.95 -42.19 89.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.326 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.57 91.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 110.399 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.22 -33.81 83.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.658 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -67.85 -39.5 83.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.339 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 tttm -61.74 -53.12 60.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.232 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.53 -43.04 84.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.424 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -56.27 -44.22 79.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.191 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -66.93 -38.91 87.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.341 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 16' ' ' LYS . 3.6 t -62.59 -41.35 91.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.21 0.528 . . . . 0.0 110.232 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.963 HD11 ' CH2' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -74.44 -38.62 62.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.666 179.048 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -56.48 -36.58 69.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.478 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -98.68 -13.36 20.32 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 21' ' ' LEU . 5.3 pt20 -65.16 -2.06 2.64 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.71 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 46.3 mm-40 -76.23 176.53 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.182 -0.324 . . . . 0.0 110.448 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 m -102.47 50.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.71 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 94.0 m-85 -62.63 85.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.347 0.594 . . . . 0.0 111.432 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -134.56 -68.41 0.54 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.485 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.751 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -126.32 126.89 44.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.386 178.625 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' O ' ' CE1' ' A' ' 92' ' ' HIS . . . -72.56 94.86 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.296 0.57 . . . . 0.0 112.457 -177.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -140.75 45.59 1.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.227 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.721 HG13 ' H ' ' A' ' 33' ' ' SER . 1.1 p -133.41 -76.13 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.465 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.721 ' H ' HG13 ' A' ' 32' ' ' VAL . 0.9 OUTLIER 174.3 135.2 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.769 0.319 . . . . 0.0 110.753 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -74.77 -47.08 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.606 -179.568 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.15 -28.95 66.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.911 ' O ' HG23 ' A' ' 40' ' ' VAL . 19.3 m-20 -63.74 -55.45 23.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.474 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 40.0 tpp -57.88 -48.58 79.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 34' ' ' GLU . 64.0 t -56.62 -44.64 81.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.849 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.2 m -63.67 -33.26 75.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 36' ' ' ASP . 48.6 t -69.08 -41.11 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.703 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.537 HG22 ' CE2' ' A' ' 81' ' ' PHE . 24.2 t -59.51 -55.58 22.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.086 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 45' ' ' MET . 0.0 OUTLIER -61.9 -34.7 76.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.374 179.744 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -46.07 89.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.963 ' CH2' HD11 ' A' ' 21' ' ' LEU . 43.3 m0 -65.53 -49.02 70.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.681 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 27.5 ptm -57.72 -45.93 85.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.544 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.32 -40.15 89.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -66.28 -36.18 82.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -67.57 -46.53 72.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 74' ' ' LEU . 31.6 mm -60.22 -56.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.3 -35.92 70.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.431 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -73.48 -49.51 26.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 111.781 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.429 ' HA ' ' CG ' ' A' ' 55' ' ' GLN . 8.4 m-85 -60.02 -31.25 69.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.798 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.6 ttp180 -54.54 -31.93 57.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 111.236 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -77.6 -22.56 50.66 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.585 ' OE1' HD11 ' A' ' 10' ' ' LEU . 7.6 pt20 -96.78 28.4 3.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.032 0.444 . . . . 0.0 111.38 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.767 HG12 ' H ' ' A' ' 58' ' ' GLY . 48.5 t -81.27 -91.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.002 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.53 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 3.6 m 96.1 -16.79 0.08 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.964 0.506 . . . . 0.0 111.395 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.767 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -83.16 177.95 53.0 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.13 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.4 mp0 -76.51 172.57 9.22 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 117.723 0.761 . . . . 0.0 110.794 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.6 Cg_endo -44.94 -32.17 6.13 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.834 2.356 . . . . 0.0 113.024 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 25.8 tt0 -73.34 -46.02 51.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.219 0.533 . . . . 0.0 109.741 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.71 -37.07 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.941 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.53 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -70.91 -54.12 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.943 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -35.58 81.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.377 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 9.6 tptm -68.16 -47.55 67.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.671 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.88 -52.29 45.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.267 0.556 . . . . 0.0 109.551 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 63' ' ' ARG . 4.4 mm? -55.96 -32.78 64.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.403 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -50.3 31.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.41 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -62.91 -33.43 75.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.99 179.408 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.464 HD12 HD11 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -63.61 -50.44 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.094 179.288 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -46.01 91.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.733 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -64.36 -38.48 91.2 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.373 -179.321 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB3' HD11 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -69.38 -41.53 76.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.712 0.291 . . . . 0.0 110.218 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.496 HD12 HD11 ' A' ' 49' ' ' ILE . 61.2 mt -60.37 -42.89 96.72 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -64.73 -35.49 81.24 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.9 m -68.81 -41.11 79.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.226 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -76.64 -37.81 55.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.263 0.554 . . . . 0.0 110.012 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.41 61.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.81 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.483 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -59.06 -57.5 26.65 Favored Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.361 -178.606 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -59.99 -31.3 93.35 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.034 1.823 . . . . 0.0 112.357 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CE2' HG22 ' A' ' 41' ' ' VAL . 1.2 t80 -67.54 -43.05 81.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.928 0.394 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -46.23 83.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.44 75.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.439 . . . . 0.0 110.018 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -61.96 -44.33 96.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.004 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 37' ' ' MET . 4.4 t80 -67.22 -38.17 84.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.57 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -61.57 -51.09 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.712 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.35 -37.1 86.3 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.308 0.575 . . . . 0.0 110.153 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -63.71 -40.78 97.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.581 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 34' ' ' GLU . 8.2 tp -74.3 -35.74 63.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.186 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 13.8 mmtp -68.48 -27.33 66.06 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.473 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.28 -40.82 62.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.412 ' CE1' ' O ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -60.16 173.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.238 -1.346 . . . . 0.0 109.415 179.297 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.06 24.84 1.96 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.755 0.312 . . . . 0.0 111.208 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.462 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 0.4 OUTLIER 43.47 98.69 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.359 179.511 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 94' ' ' LEU . 2.5 Cg_endo -45.42 111.6 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.565 2.177 . . . . 0.0 112.377 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 m 49.03 57.06 6.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.112 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.41 114.11 4.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -73.66 111.16 3.23 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.48 2.12 . . . . 0.0 112.263 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.67 110.93 3.2 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.549 2.166 . . . . 0.0 112.396 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.61 -177.97 3.96 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.487 2.125 . . . . 0.0 112.314 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.6 m 54.61 67.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.998 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.893 0.377 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 3' ' ' LEU . . . -83.24 -139.94 0.05 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.557 ' C ' HD12 ' A' ' 3' ' ' LEU . 1.1 tp 159.54 80.5 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.515 0.326 . . . . 0.0 110.331 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.686 ' CD2' ' HB3' ' A' ' 6' ' ' ALA . 0.5 OUTLIER 96.61 91.34 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.154 0.582 . . . . 0.0 109.852 -178.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -25.26 1.6 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.357 -178.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.686 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . . . -54.81 -44.8 74.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.216 0.531 . . . . 0.0 111.072 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.659 ' HA ' HD12 ' A' ' 10' ' ' LEU . 25.3 p30 -72.17 -34.19 68.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.351 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.487 ' HA ' HG22 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -69.43 -29.5 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.379 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.12 -43.64 56.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.698 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -79.05 -33.91 44.26 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.554 179.162 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.552 ' O ' HD13 ' A' ' 15' ' ' LEU . 4.7 tt -64.62 -52.04 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.558 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.507 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 74.2 p -66.67 -36.95 83.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.535 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.651 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . -65.63 -46.07 80.67 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.65 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -69.15 -31.85 72.29 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.504 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD21 ' HB3' ' A' ' 73' ' ' GLU . 5.1 mp -73.88 -40.32 63.29 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.799 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.802 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -63.47 -53.11 57.3 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 2.2 tp10 -57.8 -41.62 82.53 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.016 0.436 . . . . 0.0 109.92 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.778 ' CE2' HD13 ' A' ' 22' ' ' LEU . 33.5 t80 -57.97 -45.16 87.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.353 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 57.6 p -66.2 -39.17 89.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.714 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -66.72 -38.96 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.211 0.529 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.964 HD13 ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -76.95 -41.23 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.575 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.964 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -72.57 -42.29 64.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.785 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 19' ' ' SER . 1.4 t-20 -69.64 -28.68 66.1 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.19 6.32 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 1.4 mp0 -70.98 146.88 49.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.0 m -84.99 127.11 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.322 . . . . 0.0 111.834 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' ' CD2' ' A' ' 85' ' ' TYR . 19.2 m-85 -132.2 85.42 2.24 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.306 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -141.23 -55.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.295 0.569 . . . . 0.0 109.54 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -126.17 110.16 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.418 178.487 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.16 142.65 49.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.904 0.859 . . . . 0.0 113.21 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.783 HD22 ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -174.91 -28.34 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.293 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.783 ' N ' HD22 ' A' ' 31' ' ' LEU . 7.6 p -55.17 -18.6 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 1.1 t 85.55 154.94 0.08 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.953 0.406 . . . . 0.0 110.709 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.789 ' O ' HG23 ' A' ' 38' ' ' VAL . 27.8 tt0 -72.55 -47.14 50.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.517 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -34.47 75.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.719 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.84 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -63.31 -56.21 18.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 110.451 179.802 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.552 ' HG3' ' CE2' ' A' ' 85' ' ' TYR . 1.1 tmt? -60.25 -44.45 95.24 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 34' ' ' GLU . 75.8 t -56.52 -44.39 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.389 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.4 m -66.55 -29.66 69.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.504 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 36' ' ' ASP . 60.1 t -65.36 -52.21 54.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.207 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.2 t -66.0 -35.83 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.608 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -43.04 85.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.497 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.513 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 3.6 p30 -68.98 -40.07 79.04 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.096 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.677 ' CZ2' HD21 ' A' ' 21' ' ' LEU . 48.8 m0 -62.71 -48.76 77.84 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.01 0.433 . . . . 0.0 110.369 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.569 ' HG3' HD13 ' A' ' 74' ' ' LEU . 21.1 ttm -59.62 -43.11 93.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.653 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.407 ' O ' HG22 ' A' ' 49' ' ' ILE . 3.3 m-80 -66.85 -40.53 87.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.86 0.362 . . . . 0.0 110.66 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -66.87 -44.85 79.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.261 0.553 . . . . 0.0 109.72 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -64.14 -49.27 72.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.536 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.001 HD12 HD23 ' A' ' 70' ' ' LEU . 1.1 tp -60.64 -43.71 95.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.974 0.416 . . . . 0.0 110.722 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 24.4 m-80 -66.28 -26.4 67.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -79.66 -40.21 29.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 111.435 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CD2' HD11 ' A' ' 70' ' ' LEU . 11.3 m-85 -80.74 -29.97 36.25 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.797 ' HB3' HD11 ' A' ' 67' ' ' LEU . 4.3 ptm85 -59.92 -36.88 77.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.163 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -78.9 0.13 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.639 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.54 28.9 8.38 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.14 0.495 . . . . 0.0 110.232 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 53' ' ' ARG . 16.8 t -91.68 -90.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.845 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.61 ' O ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER 40.51 116.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 179.403 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 148.43 -8.33 1.02 Allowed Glycine 0 CA--C 1.523 0.551 0 C-N-CA 120.05 -1.072 . . . . 0.0 113.283 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.501 ' CG ' ' HB2' ' A' ' 62' ' ' GLU . 4.5 pt-20 149.42 144.0 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 123.219 0.607 . . . . 0.0 110.979 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.62 -37.03 98.29 Favored 'Trans proline' 0 CA--C 1.514 -0.524 0 C-N-CA 122.342 2.028 . . . . 0.0 110.627 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.571 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -63.78 -29.95 71.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.413 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.501 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -71.74 -45.2 62.47 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.023 178.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.733 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -66.14 -54.99 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.101 179.433 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -57.42 -42.15 81.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.978 -179.121 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -77.24 -43.01 35.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.0 111.678 -179.543 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -64.97 -42.71 94.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.929 0.395 . . . . 0.0 111.234 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 53' ' ' ARG . 4.3 mm? -76.43 -35.4 58.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 2.2 tp-100 -71.42 -41.9 68.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.378 . . . . 0.0 110.101 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 2.8 tp10 -66.06 -40.61 91.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.69 179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.001 HD23 HD12 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -62.26 -51.55 67.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.091 179.097 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -60.69 -32.75 71.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.526 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 76' ' ' THR . 4.0 tp-100 -69.41 -46.73 66.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.255 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.723 ' HB3' HD21 ' A' ' 15' ' ' LEU . 5.4 mm-40 -61.21 -44.49 97.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.236 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD13 ' HG3' ' A' ' 45' ' ' MET . 12.1 mt -63.94 -45.3 89.81 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.238 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -62.57 -36.13 81.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.967 0.413 . . . . 0.0 110.016 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 72' ' ' GLN . 22.9 p -72.21 -34.05 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.46 -40.87 28.81 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.125 0.488 . . . . 0.0 110.226 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.61 -15.06 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.544 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.454 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -59.0 -64.2 3.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.629 -178.755 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 79' ' ' ASN . 53.8 Cg_endo -68.66 -19.82 41.28 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.225 1.95 . . . . 0.0 112.113 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.77 ' CG ' HD21 ' A' ' 22' ' ' LEU . 7.1 t80 -73.99 -50.6 19.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.526 HD11 HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -62.15 -38.47 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.057 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.21 -43.67 77.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.504 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -42.91 88.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.738 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.783 ' OH ' HG11 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -72.69 -48.92 35.05 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.259 -179.792 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HA ' HD21 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -58.55 -41.65 86.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.969 0.414 . . . . 0.0 110.642 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 91' ' ' SER . 0.7 OUTLIER -71.87 -32.55 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.176 179.456 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 2.0 t80 -71.12 -42.96 68.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 86' ' ' ARG . 2.7 pp -74.26 -35.14 63.78 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 -14.43 34.52 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 9.0 t -75.36 -37.83 60.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -84.35 112.04 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.76 88.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.949 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.792 ' N ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -35.64 153.18 0.07 OUTLIER Pre-proline 0 N--CA 1.465 0.279 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.908 -179.469 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.17 144.51 63.27 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.814 2.342 . . . . 0.0 112.773 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.66 142.91 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.347 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.498 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 86.5 m-70 -122.02 44.81 0.87 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.722 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.606 ' HG2' ' HD3' ' A' ' 99' ' ' PRO . 12.5 Cg_endo -64.39 -37.86 37.14 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 121.893 1.728 . . . . 0.0 113.511 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.606 ' HD3' ' HG2' ' A' ' 98' ' ' PRO . 73.4 Cg_endo -75.3 170.48 20.23 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.884 1.722 . . . . 0.0 112.568 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.5 -166.57 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.777 2.318 . . . . 0.0 112.377 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.0 t 65.45 71.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.1 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.866 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.877 0.37 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.708 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -117.0 111.63 19.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.089 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.445 ' HG ' ' C ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER 33.96 -72.05 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 179.7 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.037 HD11 ' HB3' ' A' ' 6' ' ' ALA . 9.1 tp 61.91 77.81 0.31 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.01 0.433 . . . . 0.0 110.04 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -30.32 5.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.037 ' HB3' HD11 ' A' ' 4' ' ' LEU . . . -50.67 -30.65 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.446 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 23.2 p-10 -66.82 -46.61 74.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.112 0.482 . . . . 0.0 109.972 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 4.4 ttmm -67.22 -36.6 82.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.862 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.44 -37.3 83.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.677 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.543 HD11 ' CE1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -67.2 -45.58 76.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.497 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.642 HD11 ' HB1' ' A' ' 66' ' ' ALA . 30.7 mm -62.6 -51.33 73.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.738 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -40.26 90.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.687 0.28 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.87 95.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 110.181 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.28 91.38 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.242 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.816 HD21 ' CD ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -66.9 -39.51 87.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.565 179.327 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.753 ' O ' HG23 ' A' ' 20' ' ' VAL . 15.0 tttp -70.67 -53.08 17.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.91 -40.73 63.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.21 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CZ ' HD22 ' A' ' 74' ' ' LEU . 5.7 t80 -64.23 -47.79 78.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.784 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 p -55.25 -39.87 70.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.821 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.6 t -70.68 -35.68 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.246 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.487 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 22.9 tp -60.61 -49.28 78.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.364 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.747 HD22 ' CD2' ' A' ' 81' ' ' PHE . 14.7 mt -69.83 -40.74 75.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.644 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.4 -40.38 89.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.716 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -78.0 27.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.78 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 8.5 tp60 -89.75 156.13 18.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 110.305 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.0 t -63.38 112.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 70.4 m-85 -140.06 85.3 2.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.222 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.45 ' N ' ' CE2' ' A' ' 88' ' ' PHE . 5.2 m-80 -156.82 -62.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.05 0.452 . . . . 0.0 110.673 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.486 ' O ' HD23 ' A' ' 31' ' ' LEU . 12.3 t70 -126.27 99.55 5.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.238 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . . . -70.98 100.79 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.095 0.95 . . . . 0.0 112.727 -176.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.517 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.4 pt? -130.75 37.55 3.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.145 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.498 HG22 ' N ' ' A' ' 33' ' ' SER . 7.2 p -142.61 158.52 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.498 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -65.32 151.74 45.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.771 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.718 ' O ' HG23 ' A' ' 38' ' ' VAL . 6.6 tp10 -74.03 -47.03 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -60.38 -28.99 68.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.349 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.861 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -61.27 -56.36 21.37 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.71 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.516 ' O ' HG23 ' A' ' 41' ' ' VAL . 13.9 tmm? -58.26 -46.59 85.7 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 34' ' ' GLU . 60.6 t -56.56 -44.69 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.273 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.8 m -63.22 -38.01 89.5 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.161 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 36' ' ' ASP . 21.5 t -60.65 -41.04 86.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.011 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.549 HG22 ' CE2' ' A' ' 81' ' ' PHE . 27.1 t -65.89 -51.75 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.55 -42.7 97.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.577 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.58 -48.15 76.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.487 ' CZ3' HD11 ' A' ' 21' ' ' LEU . 17.7 m0 -59.83 -49.11 78.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.007 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.491 ' O ' HD12 ' A' ' 49' ' ' ILE . 26.6 ttp -56.67 -49.0 76.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 111.225 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -60.41 -43.38 96.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.11 -31.8 73.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.263 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -51.69 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.714 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 45' ' ' MET . 2.1 mp -56.23 -42.29 72.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.804 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.74 -39.86 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.943 0.401 . . . . 0.0 110.94 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -72.55 -33.17 66.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.894 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.855 ' CD2' HD21 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -76.63 -42.94 40.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.581 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' A' ' 54' ' ' GLN . 5.1 ptm180 -51.93 -33.91 39.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.736 0.303 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' HG3' ' NH1' ' A' ' 53' ' ' ARG . 2.0 mt-30 -81.8 -18.88 42.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.316 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -91.76 28.65 1.73 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.475 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG11 ' HG3' ' A' ' 63' ' ' ARG . 6.7 t -111.81 139.48 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.029 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.07 -1.31 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.473 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.64 169.96 45.58 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.342 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 2.3 pt-20 -61.31 162.12 15.45 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 7.5 Cg_endo -49.26 -29.3 16.77 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.858 2.372 . . . . 0.0 112.4 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.29 -45.93 52.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.038 0.446 . . . . 0.0 110.074 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -72.58 -33.45 66.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.489 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.547 ' HG3' HG11 ' A' ' 56' ' ' VAL . 25.8 ttp85 -67.81 -52.5 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.507 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.07 -42.41 96.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -58.92 -47.24 85.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.642 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -71.22 -26.64 63.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.708 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 63' ' ' ARG . 1.6 mm? -74.79 -39.75 61.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.247 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.81 -41.93 77.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.232 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.56 -41.37 96.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.02 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.855 HD21 ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -59.09 -48.33 82.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.306 179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -57.52 -48.39 79.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.669 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 3.0 tp-100 -58.71 -47.82 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 0.0 110.815 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.816 ' CD ' HD21 ' A' ' 15' ' ' LEU . 11.7 mm-40 -64.39 -23.76 67.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.034 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.458 HD22 ' CZ ' ' A' ' 18' ' ' PHE . 61.4 mt -78.57 -46.37 19.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.872 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -67.51 -27.15 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.884 179.135 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.613 HG22 ' HA ' ' A' ' 73' ' ' GLU . 1.7 t -84.67 -27.92 26.76 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.985 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 5.4 mt -86.27 -32.19 21.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 110.094 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.612 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -81.71 -24.65 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.556 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.577 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.15 -48.02 97.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.844 -177.29 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 29.8 Cg_endo -64.76 -29.42 59.44 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 121.537 1.491 . . . . 0.0 111.546 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.747 ' CD2' HD22 ' A' ' 22' ' ' LEU . 1.3 t80 -68.48 -44.58 74.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.157 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.662 ' C ' HD23 ' A' ' 82' ' ' LEU . 6.5 tt -65.57 -43.48 89.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.198 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.56 -31.46 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.945 0.403 . . . . 0.0 110.511 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 11.2 ttmm -67.0 -40.05 87.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.84 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.497 ' CG ' ' HE2' ' A' ' 37' ' ' MET . 1.1 t80 -75.87 -35.07 60.0 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -63.69 -44.64 93.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 2.1 t70 -68.92 -39.4 79.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.77 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.874 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 62.2 t80 -63.46 -44.86 93.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.987 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 34' ' ' GLU . 6.5 tp -74.43 -35.96 63.41 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -22.44 45.61 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 t -86.85 -49.96 7.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.98 0.419 . . . . 0.0 111.223 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -59.72 112.79 1.95 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.69 0.757 . . . . 0.0 112.747 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.624 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 3.8 tt0 -130.12 -174.25 3.27 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.487 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -94.63 100.49 5.36 Favored Pre-proline 0 N--CA 1.463 0.205 0 CA-C-O 120.721 0.296 . . . . 0.0 111.334 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.624 ' HD3' ' O ' ' A' ' 93' ' ' GLU . 91.4 Cg_endo -100.85 70.11 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 123.263 2.642 . . . . 0.0 112.26 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.479 ' HB2' ' HD3' ' A' ' 98' ' ' PRO . 1.8 m 78.14 -60.02 0.42 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.744 0.307 . . . . 0.0 110.826 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.45 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 7.4 m80 62.95 49.81 1.22 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.307 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.536 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 1.2 Cg_endo -45.29 -54.34 4.47 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.973 2.448 . . . . 0.0 112.95 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 98' ' ' PRO . 19.5 Cg_endo -58.67 161.21 15.39 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.341 2.027 . . . . 0.0 112.589 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' HB2' ' H ' ' A' ' 101' ' ' SER . 66.9 Cg_endo -83.04 -139.85 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.026 2.484 . . . . 0.0 112.235 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' A' ' 100' ' ' PRO . 63.0 p -118.4 90.92 3.43 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.757 0.313 . . . . 0.0 110.782 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.86 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.754 0.311 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.74 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.64 -41.92 78.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.75 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -35.1 77.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.684 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -44.56 82.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.291 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -68.38 -45.73 71.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 69' ' ' GLU . 6.1 tt -63.71 -51.11 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.408 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.494 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 10.0 t -60.83 -40.77 94.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.72 0.295 . . . . 0.0 110.705 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.66 99.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.187 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.81 -37.38 84.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.349 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.82 HD11 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -68.99 -39.67 79.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.744 0.307 . . . . 0.0 110.638 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.753 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -66.46 -53.14 38.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.44 . . . . 0.0 110.445 179.773 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.36 -40.66 71.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.148 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.695 ' CD2' HD23 ' A' ' 74' ' ' LEU . 12.2 t80 -60.72 -49.02 79.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.65 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -56.0 -38.84 71.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.2 t -69.43 -33.75 58.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.34 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.819 HD22 ' CZ3' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -67.48 -47.48 69.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.542 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.76 HD22 ' CD2' ' A' ' 81' ' ' PHE . 12.4 mt -69.68 -36.79 76.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.261 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 4.0 p-10 -75.68 -33.56 60.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.501 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -60.75 11.83 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -178.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 2.3 mp0 -72.02 176.61 4.93 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 122.073 -0.392 . . . . 0.0 109.946 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 26' ' ' VAL . 14.3 p -106.14 50.0 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 91.6 m-85 -63.42 92.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.181 0.515 . . . . 0.0 110.368 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -161.16 -52.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.083 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -126.05 102.22 7.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.765 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.807 ' C ' HD12 ' A' ' 31' ' ' LEU . . . -71.42 108.6 4.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 122.329 1.061 . . . . 0.0 113.534 -175.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.807 HD12 ' C ' ' A' ' 30' ' ' ALA . 6.9 mp -149.39 173.92 13.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 113.164 -1.834 . . . . 0.0 107.112 178.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER 84.25 155.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 118.702 0.683 . . . . 0.0 110.906 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.7 137.37 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.311 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . 25.6 tt0 -67.71 -47.14 70.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.781 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 39' ' ' THR . 0.9 OUTLIER -55.97 -29.31 60.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.934 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -52.72 50.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.0 tpp -61.04 -50.02 75.03 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.64 -44.52 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.959 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 35' ' ' GLU . 20.8 p -61.17 -38.12 85.36 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.285 0.564 . . . . 0.0 110.295 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.546 HG13 ' CZ2' ' A' ' 44' ' ' TRP . 0.9 OUTLIER -62.16 -42.02 93.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.436 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.795 HG22 ' CE2' ' A' ' 81' ' ' PHE . 88.7 t -61.37 -52.99 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.442 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.23 -41.08 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.851 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -45.53 88.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.819 ' CZ3' HD22 ' A' ' 21' ' ' LEU . 40.2 m0 -62.87 -48.63 78.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.402 ' O ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -53.77 -48.82 69.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.278 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -61.89 -42.31 98.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.08 -40.36 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.016 0.436 . . . . 0.0 110.161 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.46 -50.5 58.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.644 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.544 HD11 HD12 ' A' ' 74' ' ' LEU . 34.0 mm -56.82 -49.51 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.948 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.12 -44.69 87.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.229 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -67.21 -49.62 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.097 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.456 ' CE1' HD11 ' A' ' 10' ' ' LEU . 18.7 m-85 -59.49 -38.15 80.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.729 ' HG3' HD21 ' A' ' 67' ' ' LEU . 7.7 ttt85 -54.15 -40.14 67.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.092 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -83.14 -9.0 59.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.588 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -96.76 38.65 1.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.763 0.316 . . . . 0.0 111.066 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.653 HG11 ' HA ' ' A' ' 63' ' ' ARG . 21.5 t -133.58 119.5 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t -108.29 10.65 27.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.539 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.31 175.96 44.79 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.172 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.461 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -66.6 168.94 8.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.882 0.341 . . . . 0.0 110.82 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 9.5 Cg_endo -52.26 -27.91 32.22 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.592 2.194 . . . . 0.0 112.606 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 21.1 mt-30 -73.35 -47.48 41.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.141 0.496 . . . . 0.0 109.76 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -64.47 -38.43 90.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.316 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.653 ' HA ' HG11 ' A' ' 56' ' ' VAL . 25.3 ttm180 -69.1 -50.29 49.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.375 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.15 -45.09 96.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.899 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 1.1 mmmp? -59.26 -47.34 85.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -69.77 -30.26 67.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.49 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.729 HD21 ' HG3' ' A' ' 53' ' ' ARG . 10.7 mt -71.91 -40.32 68.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.781 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -70.97 -39.54 72.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.561 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.583 ' HB3' HD11 ' A' ' 11' ' ' ILE . 2.5 tt0 -68.55 -34.95 76.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.179 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -65.47 -49.07 70.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.891 179.213 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -63.05 -45.99 89.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.38 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.11 -35.0 78.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.951 0.405 . . . . 0.0 110.488 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.82 ' CG ' HD11 ' A' ' 15' ' ' LEU . 6.5 mm-40 -66.91 -38.36 86.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.562 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.695 HD23 ' CD2' ' A' ' 18' ' ' PHE . 25.2 mt -70.51 -36.14 73.59 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.57 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -66.21 -39.66 89.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.982 0.42 . . . . 0.0 110.137 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 73' ' ' GLU . 6.7 t -73.28 -32.35 64.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.535 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.712 HD11 HD23 ' A' ' 15' ' ' LEU . 30.3 mt -84.56 -31.39 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.203 0.525 . . . . 0.0 110.323 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -81.6 -26.86 34.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.271 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.564 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -58.66 -50.76 86.28 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.363 -178.306 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 30.4 Cg_endo -64.08 -33.66 60.92 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 121.744 1.629 . . . . 0.0 111.853 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.795 ' CE2' HG22 ' A' ' 41' ' ' VAL . 2.0 t80 -69.82 -43.48 71.92 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.358 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.8 mt -76.94 -33.42 57.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.637 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.64 56.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.175 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 17.7 ptmt -66.51 -41.89 88.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.049 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -64.9 -45.82 84.33 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.599 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.828 ' O ' HD23 ' A' ' 89' ' ' LEU . 5.4 mmm180 -58.88 -54.63 44.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.277 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.25 -37.96 82.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.173 0.511 . . . . 0.0 109.966 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.617 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 22.0 t80 -62.26 -51.36 68.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.922 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -74.51 -25.83 59.6 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.737 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -89.51 -11.42 42.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.542 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.382 -179.717 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.752 0.311 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.458 ' N ' ' HG2' ' A' ' 5' ' ' LYS . . . -51.6 -39.27 57.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.104 0.478 . . . . 0.0 110.801 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -71.12 -45.67 63.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.655 ' HA ' HD12 ' A' ' 11' ' ' ILE . 3.0 mttt -60.77 -37.15 80.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.534 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.6 -45.99 81.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.973 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -46.2 90.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.726 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.739 HD11 ' OE2' ' A' ' 69' ' ' GLU . 5.5 mt -62.87 -51.13 75.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.731 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.81 -41.14 90.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.64 0.257 . . . . 0.0 111.147 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.25 -45.5 87.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.466 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.68 -39.22 93.67 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.517 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD11 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -69.18 -39.83 78.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.541 0.21 . . . . 0.0 110.948 179.513 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.851 ' O ' HG23 ' A' ' 20' ' ' VAL . 7.1 tttt -61.34 -53.25 59.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.643 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.87 -38.57 82.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.379 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CD2' HD11 ' A' ' 22' ' ' LEU . 6.4 t80 -62.14 -46.79 87.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.18 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.8 p -61.68 -41.32 97.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.171 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.4 t -64.95 -32.96 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.208 0.528 . . . . 0.0 109.831 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.742 HD21 ' CE3' ' A' ' 44' ' ' TRP . 13.1 tp -66.49 -45.41 79.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.23 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' CD2' ' A' ' 81' ' ' PHE . 10.1 mt -71.55 -45.84 61.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.74 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -61.03 -41.59 96.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.657 0.265 . . . . 0.0 111.694 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -74.02 4.24 5.75 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 7.3 mm100 -66.29 176.6 1.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.53 117.5 46.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 0.0 111.785 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 45.9 m-85 -139.52 85.82 2.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -153.06 -57.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.11 0.481 . . . . 0.0 109.95 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.24 99.8 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.06 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . . . -72.11 102.93 3.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.62 0.724 . . . . 0.0 112.215 -177.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -111.27 -51.68 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.861 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.499 HG22 ' N ' ' A' ' 33' ' ' SER . 11.4 p -61.64 159.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.259 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.499 ' N ' HG22 ' A' ' 32' ' ' VAL . 37.7 m -74.05 163.05 28.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.803 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.9 pt-20 -74.5 -40.29 61.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.14 -33.75 71.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.892 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -63.31 -56.16 18.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.598 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.494 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -58.27 -48.1 81.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.541 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 34' ' ' GLU . 91.4 t -56.28 -44.67 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.0 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.1 m -63.26 -33.58 75.81 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.168 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 36' ' ' ASP . 24.9 t -67.01 -46.69 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.939 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.678 HG22 ' CE2' ' A' ' 81' ' ' PHE . 47.4 t -59.46 -54.93 27.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.997 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -38.97 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 0.0 110.674 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -58.98 -43.99 91.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.791 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.742 ' CE3' HD21 ' A' ' 21' ' ' LEU . 37.6 m0 -67.01 -49.02 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.732 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -48.99 72.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.403 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -41.88 94.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.703 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.44 -33.36 75.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.273 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.51 -51.67 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.0 mm -58.1 -51.4 71.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.774 0.321 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -39.91 83.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.335 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -69.95 -49.52 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.222 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CE2' HD21 ' A' ' 70' ' ' LEU . 2.3 m-85 -62.21 -32.58 73.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.558 ' O ' HG23 ' A' ' 56' ' ' VAL . 6.2 ttp85 -58.91 -42.86 90.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.727 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -75.41 -22.72 57.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -89.95 43.45 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.794 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 53' ' ' ARG . 23.6 t -114.81 139.14 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.796 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 t -127.24 -7.97 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.68 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.77 176.91 44.72 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.71 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 1.3 pm0 -69.11 166.59 27.19 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-O 120.638 0.256 . . . . 0.0 111.368 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 2.7 Cg_endo -44.96 -32.95 6.96 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.057 2.505 . . . . 0.0 112.591 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -73.17 -41.67 63.63 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.0 -39.22 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.792 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.54 ' CB ' HG11 ' A' ' 56' ' ' VAL . 25.7 ttm180 -66.75 -52.0 49.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.261 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.81 -39.42 88.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -46.99 87.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.542 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -69.16 -32.6 72.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 53' ' ' ARG . 3.5 mm? -76.19 -31.55 58.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -77.69 -39.97 43.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.657 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.739 ' OE2' HD11 ' A' ' 11' ' ' ILE . 10.6 pt-20 -71.81 -33.49 68.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -66.94 -50.23 63.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.948 178.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 68' ' ' GLN . 8.0 ptm180 -60.11 -44.69 94.66 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.962 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 50.7 tt0 -59.3 -50.36 74.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.836 ' CG ' HD11 ' A' ' 15' ' ' LEU . 61.3 mm-40 -58.8 -36.22 74.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -63.42 -45.8 89.27 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.68 -33.06 75.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 109.849 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 m -76.51 -33.1 58.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.475 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.44 HD11 ' HG ' ' A' ' 15' ' ' LEU . 45.3 mt -83.74 -33.19 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.193 0.52 . . . . 0.0 110.366 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.53 -25.17 36.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.335 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.538 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -58.65 -50.92 85.4 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.265 -178.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 40.9 Cg_endo -68.3 -31.63 28.12 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 121.881 1.72 . . . . 0.0 112.166 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.678 ' CE2' HG22 ' A' ' 41' ' ' VAL . 3.0 t80 -73.1 -46.0 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.422 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.473 HD23 HG11 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -67.95 -41.42 82.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.556 -179.456 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.77 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 110.528 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -36.6 84.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.494 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 6.7 t80 -72.71 -44.95 61.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.132 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -44.05 84.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.19 0.519 . . . . 0.0 109.744 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.35 -36.76 83.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.533 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.704 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 22.2 t80 -63.38 -47.57 81.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.604 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.591 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 7.6 tp -73.98 -29.94 62.24 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.62 0.248 . . . . 0.0 111.591 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -17.5 44.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.706 0.289 . . . . 0.0 110.959 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.185 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HA ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.148 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.37 90.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.009 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -77.05 -46.72 22.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.443 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.23 -35.08 79.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.019 0.438 . . . . 0.0 110.325 179.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.08 -44.94 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.961 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -42.57 98.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.594 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.467 HG22 HD13 ' A' ' 15' ' ' LEU . 57.1 mt -70.24 -51.88 34.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.713 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -65.67 -40.26 92.2 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 122.295 -0.253 . . . . 0.0 111.225 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.5 95.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.292 0.568 . . . . 0.0 109.611 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -70.19 -37.59 72.04 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.264 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD21 ' HG2' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -70.25 -39.76 74.81 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.675 0.274 . . . . 0.0 110.442 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.884 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -61.03 -53.25 59.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.332 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.4 -36.5 80.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.03 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.761 ' CE2' HD11 ' A' ' 22' ' ' LEU . 25.1 t80 -69.67 -34.55 74.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.348 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 1.2 m -74.19 -44.67 52.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.622 0.248 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.7 t -66.66 -33.45 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.324 0.583 . . . . 0.0 109.581 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.907 HD11 ' CH2' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -71.44 -44.76 64.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.036 179.223 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' A' ' 18' ' ' PHE . 12.5 mt -70.71 -36.26 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 19' ' ' SER . 4.7 m-80 -77.58 -10.22 59.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.257 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 45.17 0.99 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.962 0.411 . . . . 0.0 111.94 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' CB ' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -119.52 131.2 55.51 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.024 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.522 ' HB ' ' OD1' ' A' ' 29' ' ' ASP . 27.1 m -72.6 52.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -178.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CE2' ' CB ' ' A' ' 25' ' ' GLN . 69.0 m-85 -61.93 86.08 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.528 0.68 . . . . 0.0 110.549 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' VAL . 2.0 t30 178.63 -20.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.209 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.522 ' OD1' ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -98.62 97.91 9.13 Favored 'General case' 0 CA--C 1.527 0.074 0 CA-C-O 121.439 0.638 . . . . 0.0 112.255 -179.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . . . -70.42 86.87 0.62 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.163 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -173.86 148.23 1.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 113.129 -1.85 . . . . 0.0 108.872 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER 100.33 170.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 122.966 0.507 . . . . 0.0 111.228 -179.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.531 ' H ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -90.68 140.47 29.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.276 -179.762 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.76 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.4 pp20? -74.62 -40.56 61.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.255 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -53.94 -36.38 62.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.224 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.797 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -58.34 -56.16 25.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.471 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -43.79 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 34' ' ' GLU . 87.4 t -56.27 -45.45 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.232 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -35.75 81.64 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.371 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 36' ' ' ASP . 24.4 t -58.94 -48.01 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.219 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.12 -42.51 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.999 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.74 -42.9 97.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.62 -47.29 81.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.671 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.907 ' CH2' HD11 ' A' ' 21' ' ' LEU . 25.7 m0 -58.9 -48.94 79.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 34.2 ttm -56.88 -48.79 77.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.505 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 49' ' ' ILE . 39.5 m-80 -64.78 -41.56 95.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.928 0.394 . . . . 0.0 110.393 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.481 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -72.66 -47.83 44.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 70' ' ' LEU . 4.4 tp -58.6 -49.21 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.961 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.491 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 2.3 t30 -63.15 -46.22 88.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.386 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -67.5 -28.51 67.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.247 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.16 -38.93 21.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.577 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.804 ' HA ' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.94 -35.49 69.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.642 0.258 . . . . 0.0 110.845 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -80.43 -32.73 37.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.939 0.4 . . . . 0.0 110.502 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -72.42 48.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.586 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.792 HG11 ' HA ' ' A' ' 63' ' ' ARG . 3.2 t -147.87 89.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.24 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.1 p -93.17 25.41 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.544 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.68 -174.52 32.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.188 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -56.17 167.53 0.89 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.655 0.264 . . . . 0.0 110.874 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 36.4 Cg_endo -65.12 -30.15 55.85 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.481 2.121 . . . . 0.0 112.456 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -71.62 -47.51 54.11 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -40.29 85.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.943 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.792 ' HA ' HG11 ' A' ' 56' ' ' VAL . 6.8 ptp180 -74.44 -52.16 12.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.673 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -57.79 -42.21 83.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.42 -40.52 73.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.981 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.93 88.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.024 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.804 HD21 ' HA ' ' A' ' 53' ' ' ARG . 14.0 mt -67.89 -39.02 83.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -66.2 -50.34 64.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -62.5 -33.41 74.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.238 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 49' ' ' ILE . 2.1 tp -66.8 -51.92 50.04 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -57.27 -42.54 81.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -61.99 -50.41 72.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.397 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.537 ' HG2' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -55.43 -51.14 67.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.336 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.51 -48.09 77.94 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.94 -28.45 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.784 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.473 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 7.4 m -72.95 -54.37 8.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.428 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 8.6 mt -57.62 -46.38 84.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.97 -22.88 65.0 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.469 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.03 -55.55 44.02 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 76' ' ' THR . 35.2 Cg_endo -64.44 -19.49 65.34 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 121.873 1.716 . . . . 0.0 112.053 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 1.2 t80 -73.87 -44.9 53.97 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.244 0.545 . . . . 0.0 111.562 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 82' ' ' LEU . 2.1 mm? -77.11 -32.25 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.82 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.27 51.23 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.014 0.435 . . . . 0.0 110.179 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 0.4 OUTLIER -67.05 -40.45 87.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.235 179.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -43.13 71.95 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.907 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -57.59 -46.34 84.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.205 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -39.33 94.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.874 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -62.34 -48.66 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.607 179.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -74.44 -34.57 63.24 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -179.249 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -77.33 -23.25 50.97 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 0.0 111.064 -179.821 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.878 0.371 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.55 -32.4 18.41 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.781 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 25.7 p30 -75.93 -30.97 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 110.035 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 11' ' ' ILE . 6.6 tttt -77.49 -31.8 53.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.366 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.12 -36.92 64.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.709 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.862 HD21 ' CD1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -69.96 -44.64 69.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 179.347 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.488 HD12 ' OE2' ' A' ' 69' ' ' GLU . 5.0 tt -62.7 -50.16 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.639 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.484 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 1.2 m -66.67 -38.16 86.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.548 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.64 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 110.545 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.02 -36.62 60.65 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.334 178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.849 HD21 ' HG2' ' A' ' 73' ' ' GLU . 1.4 mp -70.13 -39.19 75.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.626 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.771 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.0 tttp -65.64 -53.12 45.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.994 0.426 . . . . 0.0 110.516 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.9 -38.39 78.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.437 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.876 ' CE2' HD11 ' A' ' 22' ' ' LEU . 13.4 t80 -68.79 -40.99 79.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.212 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -38.73 90.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 16' ' ' LYS . 3.5 t -72.32 -41.16 65.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.232 0.539 . . . . 0.0 109.953 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD21 ' CE3' ' A' ' 44' ' ' TRP . 11.4 tp -55.96 -48.32 76.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.651 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.876 HD11 ' CE2' ' A' ' 18' ' ' PHE . 59.7 mt -71.55 -35.64 70.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.407 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -82.66 0.23 44.13 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -93.15 28.53 2.13 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.365 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.596 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 14.9 mm100 -93.19 176.67 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.21 50.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 37.0 m-85 -62.5 105.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.45 0.643 . . . . 0.0 110.404 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t30 179.64 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.702 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.536 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -126.24 92.96 3.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.925 178.813 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.794 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -72.61 108.54 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -176.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.985 HD22 ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -124.31 -50.64 1.77 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.012 179.072 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.985 ' N ' HD22 ' A' ' 31' ' ' LEU . 14.9 p -67.31 149.02 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.96 0.41 . . . . 0.0 111.521 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.18 150.26 39.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.829 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -74.68 -34.74 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.02 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -59.41 -38.92 81.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.562 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.909 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.2 t70 -60.01 -55.61 31.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.233 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.477 ' CG ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.96 -44.19 86.89 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 34' ' ' GLU . 74.6 t -56.52 -44.88 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.109 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m -68.28 -31.82 71.53 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.508 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 36' ' ' ASP . 37.7 t -63.87 -51.74 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 42.4 t -62.56 -41.49 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.748 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 45' ' ' MET . 0.3 OUTLIER -64.17 -41.89 96.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -42.99 98.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.151 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 43.5 m0 -67.35 -49.06 65.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.194 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -59.03 -37.39 76.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.21 -43.61 70.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.534 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.0 -34.35 78.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.058 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -50.76 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.62 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.587 HD11 HD12 ' A' ' 74' ' ' LEU . 34.1 mm -57.71 -48.3 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -62.94 -32.89 74.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.397 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -81.4 -31.88 33.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.614 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.862 ' CD1' HD21 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -75.23 -39.75 59.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.339 -179.539 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.689 ' HB3' HD21 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -49.34 -32.32 11.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.216 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -8.0 56.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.936 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -96.61 12.34 32.04 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.556 0.217 . . . . 0.0 111.47 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.762 HG12 ' H ' ' A' ' 58' ' ' GLY . 35.0 t -94.96 -83.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 1.9 m 90.64 7.62 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.718 0.407 . . . . 0.0 111.599 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.762 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -92.02 -177.94 42.02 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.37 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -64.71 169.35 5.34 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 117.367 0.584 . . . . 0.0 110.615 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 9.8 Cg_endo -51.83 -27.84 28.73 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.477 2.118 . . . . 0.0 112.308 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 24.5 pt20 -73.07 -42.79 62.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -45.44 91.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.323 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -68.53 -49.72 57.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.8 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.92 -52.04 65.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.453 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -56.88 -47.43 80.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.436 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HA ' ' HG2' ' A' ' 69' ' ' GLU . . . -64.72 -51.32 63.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.444 0.64 . . . . 0.0 109.693 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 53' ' ' ARG . 15.6 mt -54.55 -33.81 60.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.71 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -72.47 -50.35 26.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE2' HD12 ' A' ' 11' ' ' ILE . 22.0 pt-20 -64.74 -29.87 70.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.259 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.52 -50.27 59.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.243 179.275 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -62.54 -44.24 96.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.767 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.15 -42.55 99.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.708 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.849 ' HG2' HD21 ' A' ' 15' ' ' LEU . 26.6 mt-10 -62.9 -42.24 99.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.044 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.587 HD12 HD11 ' A' ' 49' ' ' ILE . 13.8 mt -64.7 -38.09 89.81 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.828 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ASN . 8.1 m-80 -64.94 -49.44 70.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.975 0.417 . . . . 0.0 110.221 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 73' ' ' GLU . 5.2 t -60.4 -34.61 74.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.514 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.68 -43.34 22.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.529 0.68 . . . . 0.0 109.694 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -68.9 -27.01 65.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.334 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.476 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -58.43 -56.85 31.11 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.738 -177.567 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 19.6 Cg_endo -59.18 -31.75 95.88 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 121.701 1.6 . . . . 0.0 111.932 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.636 ' HD2' HD22 ' A' ' 22' ' ' LEU . 1.1 t80 -74.17 -50.66 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.425 0.631 . . . . 0.0 110.907 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 82' ' ' LEU . 7.3 tt -68.7 -40.49 80.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.241 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.14 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -69.82 -39.98 76.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.664 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CE2' ' CG ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -68.8 -39.41 80.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.917 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.435 ' HG3' HD23 ' A' ' 82' ' ' LEU . 4.5 mmm180 -64.0 -53.05 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -33.54 64.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.25 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.794 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -63.98 -51.82 62.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.71 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 5.6 mt -74.43 -27.84 60.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.107 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -13.29 43.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.7 0.286 . . . . 0.0 111.549 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 111.205 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 tptp . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.767 0.318 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.62 -42.64 71.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.629 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -68.8 -32.32 71.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.373 . . . . 0.0 110.58 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -35.58 60.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.526 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -64.9 -47.87 76.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.384 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -66.19 -43.83 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.401 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.942 HD13 HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -61.21 -51.15 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.211 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 11' ' ' ILE . 3.9 m -59.82 -42.62 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.61 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.92 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.324 . . . . 0.0 110.699 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.71 -35.15 85.12 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.517 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.613 HD11 ' CB ' ' A' ' 73' ' ' GLU . 2.1 mp -71.27 -39.75 71.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.645 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.869 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.3 tttt -61.88 -53.17 59.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -59.72 -40.64 88.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.555 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.748 ' CE1' HD11 ' A' ' 22' ' ' LEU . 21.2 t80 -61.91 -48.99 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 p -59.12 -41.06 87.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.603 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -69.34 -37.86 76.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.241 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.985 HD11 ' CH2' ' A' ' 44' ' ' TRP . 1.4 tp -59.69 -47.26 86.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.111 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.748 HD11 ' CE1' ' A' ' 18' ' ' PHE . 14.9 mt -68.33 -36.18 78.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.765 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.564 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 22.2 p30 -80.25 -33.0 38.26 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.564 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 12.8 pt20 -61.51 14.21 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -79.64 176.65 9.51 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 26' ' ' VAL . 13.6 p -101.99 50.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.527 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 45.1 m-85 -62.82 90.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.475 0.655 . . . . 0.0 110.688 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -156.96 -57.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.611 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.559 ' HB2' HD23 ' A' ' 31' ' ' LEU . 7.4 p-10 -126.39 101.76 6.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.384 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' C ' HD22 ' A' ' 31' ' ' LEU . . . -72.87 76.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.203 0.525 . . . . 0.0 111.55 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 29' ' ' ASP . 3.6 mm? -113.3 50.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.214 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.646 HG13 ' H ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -144.45 -86.48 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.646 ' H ' HG13 ' A' ' 32' ' ' VAL . 2.1 p 176.9 137.04 0.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.741 0.305 . . . . 0.0 110.687 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.808 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -74.27 -45.88 44.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.428 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -53.87 -41.84 67.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.801 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -58.15 -55.74 31.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.464 179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -57.93 -43.44 86.28 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 34' ' ' GLU . 94.1 t -56.81 -44.68 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.052 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -38.05 89.66 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.105 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 36' ' ' ASP . 8.2 t -61.91 -39.87 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.826 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.831 HG11 HD23 ' A' ' 82' ' ' LEU . 53.4 t -65.3 -50.04 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.73 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -42.77 95.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.709 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -38.77 92.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.985 ' CH2' HD11 ' A' ' 21' ' ' LEU . 22.0 m0 -68.64 -48.5 63.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.81 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 29.7 ttm -58.51 -45.22 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.352 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -67.8 -43.44 79.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.002 0.429 . . . . 0.0 110.483 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -64.44 -33.1 75.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.541 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -71.05 -45.56 63.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.622 HD11 HD12 ' A' ' 74' ' ' LEU . 34.3 mm -60.54 -52.46 61.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.723 0.297 . . . . 0.0 110.785 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.99 -40.63 94.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -67.18 -49.19 65.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.563 ' O ' HG22 ' A' ' 56' ' ' VAL . 12.5 m-85 -59.55 -30.88 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.5 ttp-105 -62.33 -39.64 93.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -6.78 43.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.793 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' CG ' ' HA ' ' A' ' 52' ' ' TYR . 11.9 pt20 -115.9 24.63 11.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.669 0.271 . . . . 0.0 111.495 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.08 HG12 ' NH1' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -114.16 125.85 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.078 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.575 ' N ' HH11 ' A' ' 63' ' ' ARG . 2.0 m -167.55 125.92 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 154.87 -6.92 0.3 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 119.741 -1.218 . . . . 0.0 113.827 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER 157.11 121.18 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 123.098 0.559 . . . . 0.0 109.847 178.148 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 59' ' ' GLU . 5.7 Cg_endo -46.88 -51.09 9.75 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.526 2.151 . . . . 0.0 111.842 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 26.0 tt0 -62.26 -37.08 84.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.494 ' HB2' ' CB ' ' A' ' 59' ' ' GLU . 3.1 tt0 -71.89 -32.75 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.34 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 1.08 ' NH1' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -74.56 -55.6 5.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.261 0.553 . . . . 0.0 110.54 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.88 -33.45 73.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.522 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -68.85 -47.15 66.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.32 73.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.169 0.509 . . . . 0.0 110.311 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.001 HD21 HG21 ' A' ' 56' ' ' VAL . 1.8 mm? -72.94 -43.91 61.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.707 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 9.0 pt20 -63.78 -42.5 97.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 110.153 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 3.5 mm-40 -62.76 -41.83 99.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.849 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.942 HD22 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -55.54 -50.99 68.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.323 179.22 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -58.13 -49.14 78.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.764 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 76' ' ' THR . 0.9 OUTLIER -59.26 -50.45 73.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.613 ' CB ' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -55.03 -45.13 75.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.729 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.622 HD12 HD11 ' A' ' 49' ' ' ILE . 57.4 mt -59.26 -44.35 92.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.232 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -64.53 -31.65 72.95 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.173 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.0 p -79.97 -28.86 39.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.382 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 77' ' ' LEU . 24.1 mt -85.91 -33.57 21.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.12 0.486 . . . . 0.0 110.419 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.51 -24.21 36.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.281 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.54 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.81 -50.78 86.16 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.398 -178.359 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 42.5 Cg_endo -68.5 -31.9 26.25 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 121.837 1.691 . . . . 0.0 112.235 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.7 ' CE2' HG22 ' A' ' 41' ' ' VAL . 2.2 t80 -71.1 -44.71 65.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.518 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.831 HD23 HG11 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -71.3 -40.6 70.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.49 -35.44 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 110.2 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 2.5 tttm -65.9 -42.04 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.547 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.46 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 2.3 t80 -68.17 -43.89 77.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.73 0.3 . . . . 0.0 111.19 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -54.47 46.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.904 0.383 . . . . 0.0 110.663 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -38.71 89.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.095 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 6.4 t80 -63.31 -40.37 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.208 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -74.01 -31.13 62.79 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.382 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -85.72 -22.91 27.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 111.658 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 111.728 -179.416 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.09 0 CA-C-O 120.721 0.296 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -41.4 85.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 0.0 110.584 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -76.73 -43.9 35.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.449 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.58 83.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.44 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.81 -48.44 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.968 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -41.84 93.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.671 HD13 HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -68.0 -51.45 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.51 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.477 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 59.0 p -67.99 -39.27 83.28 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.456 -0.153 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -62.71 -35.83 81.0 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.62 -32.38 61.78 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.375 -0.916 . . . . 0.0 110.873 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.815 HD23 HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -74.52 -40.24 61.87 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.493 0.187 . . . . 0.0 111.053 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.897 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -68.48 -44.73 74.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.682 0.277 . . . . 0.0 110.642 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -67.44 -38.79 85.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.022 0.439 . . . . 0.0 110.194 179.382 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.732 ' CE1' HD11 ' A' ' 22' ' ' LEU . 23.4 t80 -73.84 -32.71 63.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -68.97 -44.05 73.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.596 0.236 . . . . 0.0 110.801 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.2 t -68.91 -38.37 78.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.857 HD11 ' CZ2' ' A' ' 44' ' ' TRP . 13.9 tp -56.56 -45.87 81.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.447 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.732 HD11 ' CE1' ' A' ' 18' ' ' PHE . 11.5 mt -78.73 -48.85 14.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -58.51 -17.73 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -85.38 57.84 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 111.395 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.78 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 10.9 mm100 -119.96 176.92 5.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.05 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.891 HG22 ' HB2' ' A' ' 29' ' ' ASP . 8.5 p -111.64 50.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.324 -0.55 . . . . 0.0 112.413 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.78 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 26.4 m-85 -62.75 141.35 58.63 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER 87.31 15.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -176.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.891 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -126.29 159.63 32.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.934 -179.454 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.71 73.32 0.84 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.333 -1.303 . . . . 0.0 113.395 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.797 HD13 HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -162.71 134.24 5.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.462 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER 95.4 139.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.139 0.576 . . . . 0.0 111.135 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -74.1 150.33 40.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.172 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.1 pp20? -74.48 -47.0 35.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.34 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.19 -42.36 73.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.999 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.777 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -59.18 -54.36 47.85 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.969 0.414 . . . . 0.0 110.335 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.469 ' O ' HG23 ' A' ' 41' ' ' VAL . 38.8 tpp -58.05 -44.42 87.43 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.487 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 34' ' ' GLU . 84.9 t -56.41 -45.92 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.776 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -64.63 -35.82 82.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.152 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 36' ' ' ASP . 48.0 t -58.1 -40.7 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-O 121.13 0.491 . . . . 0.0 110.453 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.813 HG22 ' CE2' ' A' ' 81' ' ' PHE . 34.5 t -68.52 -46.31 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.228 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -45.53 86.98 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.973 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.484 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 4.3 p30 -67.07 -35.05 78.98 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.046 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.857 ' CZ2' HD11 ' A' ' 21' ' ' LEU . 7.3 m0 -62.21 -49.44 75.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.076 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.603 ' O ' HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.81 -49.16 78.79 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.618 -179.182 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -43.62 98.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.939 0.399 . . . . 0.0 110.49 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.21 -40.26 89.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -70.02 -47.75 60.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.603 HD13 ' O ' ' A' ' 45' ' ' MET . 1.6 mp -57.76 -56.03 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.801 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -49.01 76.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.487 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -61.65 -49.68 75.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.363 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.961 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -65.22 -30.89 71.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.804 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.625 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -56.46 -41.99 77.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.647 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -90.95 -24.08 20.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.448 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -77.89 -19.35 54.92 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 52' ' ' TYR . 94.1 t -54.18 -99.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.264 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.591 ' N ' HG12 ' A' ' 56' ' ' VAL . 6.6 m 100.51 170.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.209 0.604 . . . . 0.0 109.705 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.512 ' H ' HG22 ' A' ' 57' ' ' THR . . . 91.05 -172.83 37.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.096 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.04 164.49 3.36 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 52.7 Cg_endo -68.93 -25.17 32.81 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.523 2.149 . . . . 0.0 112.478 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 46.4 tt0 -73.1 -48.36 36.43 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.05 -42.55 90.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.112 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.678 ' HA ' HG11 ' A' ' 56' ' ' VAL . 9.9 ptp180 -70.77 -50.83 31.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -57.71 -35.3 70.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -73.33 -38.13 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.43 -39.74 70.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.166 0.508 . . . . 0.0 110.37 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.625 HD21 ' CG ' ' A' ' 53' ' ' ARG . 2.8 mp -65.89 -40.7 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.867 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -69.88 -41.86 74.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 2.2 mt-10 -68.51 -26.17 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.709 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 11.2 mt -75.31 -51.28 13.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -57.36 -39.55 76.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.346 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 10.6 pt20 -70.95 -49.66 43.16 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.709 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.74 -50.07 74.46 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.307 179.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.405 ' CD2' ' CE2' ' A' ' 18' ' ' PHE . 16.6 mt -57.14 -45.08 83.87 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.969 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.66 -29.73 70.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.541 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -80.27 -29.76 38.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.415 179.379 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.815 HD11 HD23 ' A' ' 15' ' ' LEU . 18.7 mt -79.01 -45.99 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.26 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.417 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . . . -68.29 -21.33 64.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.505 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.475 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -58.64 -57.61 25.39 Favored Pre-proline 0 C--N 1.331 -0.236 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.321 -178.235 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.487 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 19.7 Cg_endo -60.16 -31.71 93.56 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.132 1.888 . . . . 0.0 112.564 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.813 ' CE2' HG22 ' A' ' 41' ' ' VAL . 1.1 t80 -73.69 -46.93 43.35 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.453 0.644 . . . . 0.0 111.335 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.798 HD23 HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -77.0 -32.45 57.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.746 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.1 -30.31 58.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.249 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -72.34 -46.79 53.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.614 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -35.45 75.03 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.33 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -62.2 -41.66 98.56 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.007 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -40.12 95.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.407 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CZ ' ' O ' ' A' ' 29' ' ' ASP . 1.3 t80 -65.8 -50.06 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.372 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 34' ' ' GLU . 70.1 mt -63.58 -39.62 94.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HD3' ' HD3' ' A' ' 86' ' ' ARG . 3.8 mptt -85.05 -29.13 25.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.991 0.424 . . . . 0.0 110.987 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.107 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.54 -43.26 89.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.142 0.496 . . . . 0.0 110.362 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -71.32 -46.59 60.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.528 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -60.06 -37.68 80.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.471 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.7 -46.29 79.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.894 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -60.4 -45.39 93.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.943 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 8' ' ' LYS . 12.3 mt -63.85 -51.91 63.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.441 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -62.93 -38.54 91.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.643 0.259 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -61.2 -45.25 95.37 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.1 -29.8 75.66 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.428 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -70.7 -40.22 73.0 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.638 0.256 . . . . 0.0 110.834 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.912 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -71.12 -44.78 64.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.184 -179.294 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.65 -46.59 89.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.272 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.712 ' CE2' HD11 ' A' ' 22' ' ' LEU . 4.8 t80 -59.43 -49.19 78.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.827 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.448 ' OG ' HD22 ' A' ' 77' ' ' LEU . 1.5 m -55.27 -41.19 71.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.518 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.0 t -64.08 -41.31 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.239 0.542 . . . . 0.0 110.066 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.798 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 6.9 tp -66.42 -46.76 75.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.446 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.781 HD22 ' HD2' ' A' ' 81' ' ' PHE . 68.3 mt -65.05 -41.58 95.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.617 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -76.78 -28.35 55.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.439 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.445 HE21 HG12 ' A' ' 20' ' ' VAL . 8.3 mt-30 -62.25 -3.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.5 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 11.0 mm-40 -80.93 149.75 29.27 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.6 t -79.51 127.58 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.835 0.35 . . . . 0.0 111.576 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 25' ' ' GLN . 61.0 m-85 -130.79 85.62 2.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -136.13 -65.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.021 0.439 . . . . 0.0 110.807 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.875 ' O ' HD23 ' A' ' 31' ' ' LEU . 9.3 p-10 -126.09 126.35 44.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.694 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.905 ' HB1' HD13 ' A' ' 89' ' ' LEU . . . -72.47 89.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.397 0.618 . . . . 0.0 112.359 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.875 HD23 ' O ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -103.7 -51.35 3.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.008 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.5 HG22 ' N ' ' A' ' 33' ' ' SER . 12.5 p -71.36 159.78 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.493 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.5 ' N ' HG22 ' A' ' 32' ' ' VAL . 33.7 t -66.67 154.3 40.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.848 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.8 tt0 -74.62 -47.1 34.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.361 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -33.52 58.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.229 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.885 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -61.88 -56.18 22.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.704 0.288 . . . . 0.0 110.537 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.474 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -60.27 -44.31 95.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 34' ' ' GLU . 53.2 t -56.9 -44.53 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.93 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -65.03 -35.23 80.52 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.024 0.44 . . . . 0.0 110.106 179.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 36' ' ' ASP . 38.4 t -61.63 -45.74 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.896 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.748 HG22 ' CE2' ' A' ' 81' ' ' PHE . 47.5 t -64.66 -42.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.672 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -43.03 86.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -48.67 80.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.798 ' CZ3' HD11 ' A' ' 21' ' ' LEU . 48.4 m0 -63.44 -48.46 77.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ttm -56.73 -48.85 76.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.421 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.08 -41.14 99.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.947 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -65.41 -34.25 77.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.814 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -71.59 -46.27 59.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.49 HD13 HD12 ' A' ' 70' ' ' LEU . 37.7 mm -60.8 -51.19 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -61.09 -41.93 97.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -67.11 -44.68 79.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.589 ' CE2' HD21 ' A' ' 70' ' ' LEU . 4.1 m-85 -62.44 -32.4 73.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.9 mtm180 -54.69 -34.58 62.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.458 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -13.75 53.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -91.06 24.01 3.0 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.755 0.312 . . . . 0.0 111.002 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.869 HG11 ' HG3' ' A' ' 63' ' ' ARG . 1.4 t -106.8 -173.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.822 ' H ' HG12 ' A' ' 56' ' ' VAL . 7.6 t 122.28 99.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.46 1.104 . . . . 0.0 110.152 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 178.42 22.72 0.03 OUTLIER Glycine 0 CA--C 1.527 0.825 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.693 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.61 ' HG2' ' H ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER 105.09 147.32 0.01 OUTLIER Pre-proline 0 N--CA 1.467 0.377 0 C-N-CA 124.594 1.157 . . . . 0.0 110.68 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.91 -51.09 7.88 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.999 2.466 . . . . 0.0 112.203 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.484 ' HG3' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -62.6 -30.08 71.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.126 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.61 ' H ' ' HG2' ' A' ' 59' ' ' GLU . 9.1 tp10 -73.48 -50.49 21.29 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.525 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.869 ' HG3' HG11 ' A' ' 56' ' ' VAL . 13.7 ttp180 -65.03 -55.72 17.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.925 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -43.12 86.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.922 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 7.0 ttpt -68.26 -34.95 77.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.336 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.32 -41.09 57.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.205 0.526 . . . . 0.0 110.397 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.423 HD21 ' HG2' ' A' ' 53' ' ' ARG . 8.2 mt -70.4 -39.23 74.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.813 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 5.1 pp0? -67.25 -47.09 71.79 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.265 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -61.59 -34.58 75.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.902 179.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.589 HD21 ' CE2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -62.43 -51.83 65.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.48 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -57.42 -40.88 79.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.695 0.283 . . . . 0.0 110.581 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' O ' HG22 ' A' ' 76' ' ' THR . 1.7 mt-30 -64.41 -49.38 71.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.582 ' HG3' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -60.76 -27.06 67.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.51 -179.555 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.582 HD23 ' HG3' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -78.39 -47.97 16.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.124 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.33 -35.38 77.23 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 77' ' ' LEU . 7.8 t -69.97 -52.42 24.5 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' N ' HG23 ' A' ' 76' ' ' THR . 86.5 mt -61.08 -41.25 96.29 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.639 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.95 -16.47 56.92 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 111.718 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -58.76 -57.1 29.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.234 -177.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.447 ' CD ' ' O ' ' A' ' 76' ' ' THR . 50.3 Cg_endo -68.8 -25.19 33.57 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.402 2.068 . . . . 0.0 113.374 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.781 ' HD2' HD22 ' A' ' 22' ' ' LEU . 1.6 t80 -74.01 -48.31 31.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 111.521 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 82' ' ' LEU . 7.0 mt -64.9 -41.3 95.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.826 -179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.27 -38.38 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.349 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HE3' ' CD2' ' A' ' 27' ' ' PHE . 7.6 tttp -62.1 -37.22 84.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.565 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 5.6 t80 -75.9 -38.05 58.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -47.34 81.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.896 0.379 . . . . 0.0 110.48 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.68 -35.85 75.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.897 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -66.95 -40.23 87.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.805 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.905 HD13 ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -74.24 -38.42 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.93 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -7.01 54.73 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.842 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HA ' ' HG2' ' A' ' 8' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.222 -0.348 0 CA-C-O 121.238 0.542 . . . . 0.0 110.143 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.48 -34.42 35.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.951 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.438 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.4 m-80 -74.35 -47.17 36.03 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.416 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.53 ' HG2' ' HA ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -71.14 -30.98 67.15 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.023 0.44 . . . . 0.0 110.54 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.74 -44.68 76.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.366 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -42.5 99.64 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.429 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 7' ' ' ASN . 1.5 mp -69.45 -52.3 33.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.454 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -65.89 -38.98 90.16 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 122.112 -0.368 . . . . 0.0 111.073 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.589 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -63.92 -36.8 85.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.282 0.563 . . . . 0.0 109.576 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.24 -38.33 58.96 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.016 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.799 HD11 ' CB ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -71.02 -40.88 71.5 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.893 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.88 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -64.18 -45.04 90.12 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.13 -34.42 77.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.588 ' CD2' HD11 ' A' ' 22' ' ' LEU . 15.9 t80 -62.98 -42.33 99.81 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.923 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.832 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -69.4 -42.0 75.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.693 0.282 . . . . 0.0 111.085 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.6 t -62.54 -32.19 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.386 0.612 . . . . 0.0 109.454 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.981 HD11 ' CH2' ' A' ' 44' ' ' TRP . 4.2 tp -70.72 -40.13 73.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.621 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 19' ' ' SER . 6.6 mt -68.32 -44.29 75.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.167 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -30.96 63.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.717 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -100.94 30.04 4.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.665 0.269 . . . . 0.0 111.384 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.553 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -61.18 176.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.84 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.572 HG13 ' OH ' ' A' ' 85' ' ' TYR . 4.0 p -103.0 115.06 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.388 0.613 . . . . 0.0 110.974 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 41.3 m-85 -141.46 96.28 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.061 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.54 -63.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 119.466 1.03 . . . . 0.0 109.103 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -126.47 92.62 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.658 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.718 ' HB1' HD22 ' A' ' 89' ' ' LEU . . . -72.2 165.08 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -177.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.584 ' C ' HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER 102.05 68.53 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.003 -179.071 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.584 HG12 ' C ' ' A' ' 31' ' ' LEU . 1.5 p 153.96 -39.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.289 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.456 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 1.9 m -75.08 -4.07 36.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.556 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 38' ' ' VAL . 38.2 tt0 -63.65 -48.34 77.62 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.11 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.35 -44.88 57.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.193 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.907 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.9 t70 -59.95 -52.7 64.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.224 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 85' ' ' TYR . 10.5 tpp -58.07 -45.52 86.94 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 34' ' ' GLU . 3.7 t -55.68 -45.44 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.231 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 43' ' ' ASP . 54.7 m -67.55 -32.76 73.76 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.879 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 36' ' ' ASP . 67.4 t -62.54 -51.35 73.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.885 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.783 HG22 ' CE2' ' A' ' 81' ' ' PHE . 65.9 t -59.33 -49.9 81.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 110.177 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 45' ' ' MET . 1.4 tt0 -58.05 -39.12 77.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.571 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -64.3 -50.13 69.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.046 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.981 ' CH2' HD11 ' A' ' 21' ' ' LEU . 41.0 m0 -60.38 -49.49 77.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.973 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 6.2 ptp -56.96 -42.55 80.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 45' ' ' MET . 0.5 OUTLIER -69.53 -41.83 75.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.477 179.636 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -64.1 -36.13 83.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.217 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.73 -51.67 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 45' ' ' MET . 32.4 mm -56.21 -45.07 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.361 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 1.9 t30 -66.5 -43.92 84.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.311 . . . . 0.0 111.584 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.49 -29.15 62.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.708 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.679 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.9 m-85 -84.29 -44.42 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.339 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.815 ' HB2' HD11 ' A' ' 67' ' ' LEU . 4.3 ptm85 -51.54 -32.54 28.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -97.37 -25.57 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.663 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.454 ' HB2' ' HA ' ' A' ' 52' ' ' TYR . 5.7 mm100 -71.05 -9.8 58.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 52' ' ' TYR . 48.2 t -83.75 -74.59 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.604 0.24 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.567 HG23 ' C ' ' A' ' 56' ' ' VAL . 4.6 p 88.45 -118.48 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.522 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.505 ' N ' ' OG1' ' A' ' 57' ' ' THR . . . 39.15 -165.13 0.01 OUTLIER Glycine 0 C--N 1.34 0.801 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.316 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.05 167.33 9.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 122.798 -0.236 . . . . 0.0 110.474 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.38 -25.13 76.09 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.377 2.052 . . . . 0.0 112.491 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.4 -47.9 58.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.229 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.74 -39.44 84.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -55.0 6.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.01 -40.73 81.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -72.55 -43.13 63.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.247 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.815 HD11 ' HB2' ' A' ' 53' ' ' ARG . 12.0 mt -70.66 -45.58 64.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.284 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -63.24 -34.46 77.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.782 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 1.8 tt0 -72.64 -38.33 67.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 52' ' ' TYR . 6.4 tp -64.61 -51.72 61.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.675 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -57.25 -43.94 83.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.49 -50.35 69.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 110.372 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.799 ' CB ' HD11 ' A' ' 15' ' ' LEU . 7.0 mm-40 -56.43 -50.94 70.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.161 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.4 -48.13 77.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.013 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.52 -27.7 67.82 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.087 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.457 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 17.0 m -74.06 -55.81 5.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.373 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.567 HD11 HD23 ' A' ' 15' ' ' LEU . 20.6 mt -57.97 -43.49 86.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.902 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.42 -27.17 68.34 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.447 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.1 m120 -57.88 -55.89 40.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.787 -176.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HD2' ' O ' ' A' ' 76' ' ' THR . 38.5 Cg_endo -67.42 -24.24 43.07 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 121.91 1.74 . . . . 0.0 112.369 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.783 ' CE2' HG22 ' A' ' 41' ' ' VAL . 1.2 t80 -74.15 -44.98 51.58 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.051 0.453 . . . . 0.0 110.573 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -40.27 94.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.214 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.45 92.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.242 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -47.04 88.06 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.572 ' OH ' HG13 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -70.53 -38.65 74.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.622 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 11.9 mmm180 -64.17 -30.8 71.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.32 -38.96 68.55 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.297 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.679 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 1.1 t80 -63.93 -42.41 97.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.172 0.51 . . . . 0.0 110.248 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.718 HD22 ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -74.34 -35.27 63.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.406 179.338 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -72.14 -31.52 66.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.235 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -178.532 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.217 0 CA-C-O 120.791 0.329 . . . . 0.0 111.615 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.61 -31.66 16.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 39.4 p-10 -69.4 -45.69 68.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.008 0.433 . . . . 0.0 110.145 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.501 ' HA ' HD12 ' A' ' 11' ' ' ILE . 2.6 tmmm? -65.3 -39.4 92.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.869 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -60.73 -39.78 89.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.95 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -45.14 88.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 8' ' ' LYS . 16.2 mt -64.17 -51.51 67.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.194 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 t -65.6 -37.75 87.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.7 95.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.017 0.436 . . . . 0.0 110.139 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.69 -37.38 61.6 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.333 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.856 HD11 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -69.06 -39.74 78.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 110.254 179.329 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.4 tttm -65.78 -53.1 44.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.174 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -55.58 -38.68 69.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.946 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.92 -44.56 97.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.603 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.6 p -62.86 -38.73 91.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.0 t -68.82 -42.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.193 0.521 . . . . 0.0 109.889 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.932 HD11 ' CH2' ' A' ' 44' ' ' TRP . 2.7 tp -62.47 -43.19 99.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.88 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.878 HD21 ' CG ' ' A' ' 81' ' ' PHE . 1.2 tt -64.46 -34.96 79.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.831 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 19.9 p30 -82.81 -27.92 30.59 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.471 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.0 pt20 -65.49 2.88 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.534 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.1 mp0 -64.34 176.63 1.01 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 26' ' ' VAL . 14.8 p -99.76 50.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 92.2 m-85 -66.02 85.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.422 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -169.7 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.045 0.45 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -126.0 99.13 5.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.985 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.899 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -71.2 164.62 25.3 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.635 ' O ' HG12 ' A' ' 32' ' ' VAL . 26.6 mt 123.12 -172.38 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 112.955 -1.93 . . . . 0.0 107.757 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER 87.07 16.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 118.523 0.601 . . . . 0.0 111.247 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p 63.24 135.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.838 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.61 -29.51 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.33 -36.29 79.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.438 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.91 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.21 -53.74 48.34 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.0 tpp -60.25 -47.49 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.7 t -56.41 -44.99 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.763 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.0 m -64.1 -32.65 74.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.276 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 36' ' ' ASP . 39.3 t -67.5 -46.2 83.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.703 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.862 HG22 ' CE2' ' A' ' 81' ' ' PHE . 17.0 t -59.43 -52.61 58.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.569 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 45' ' ' MET . 2.4 tt0 -60.96 -41.2 95.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.646 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -49.48 74.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.674 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.932 ' CH2' HD11 ' A' ' 21' ' ' LEU . 40.2 m0 -59.4 -48.73 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.417 ' HG3' ' HA ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -52.83 -49.01 66.58 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.425 -179.219 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -64.48 -39.83 94.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.83 -36.27 83.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.356 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.419 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 3.6 m-85 -68.2 -50.49 53.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.803 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.456 HD11 HD13 ' A' ' 74' ' ' LEU . 1.4 mp -57.35 -52.7 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.336 . . . . 0.0 110.795 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.07 -40.63 81.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.902 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -73.49 -49.74 25.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.848 0.356 . . . . 0.0 111.585 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.925 ' CD2' HD21 ' A' ' 70' ' ' LEU . 18.0 m-85 -57.42 -37.53 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.19 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.891 ' HG2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -51.2 -37.48 46.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.16 -5.72 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.097 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.39 23.44 10.2 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.67 0.272 . . . . 0.0 111.466 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.852 HG12 ' H ' ' A' ' 58' ' ' GLY . 24.3 t -97.35 -85.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.075 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.8 p 89.01 -2.3 0.4 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.223 0.609 . . . . 0.0 111.432 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.852 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -86.13 -177.69 49.9 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 3.7 pm0 -71.3 165.17 50.95 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 117.84 0.82 . . . . 0.0 111.182 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.486 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 4.1 Cg_endo -46.1 -31.75 9.14 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.845 2.364 . . . . 0.0 112.574 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 26.4 tt0 -73.13 -46.77 49.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -43.73 98.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.838 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.608 ' HA ' HG11 ' A' ' 56' ' ' VAL . 24.0 mtt180 -65.69 -51.21 61.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.127 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.64 -50.61 68.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.344 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -53.22 -47.36 69.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.326 -179.364 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.25 60.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.238 0.542 . . . . 0.0 109.672 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.891 HD11 ' HG2' ' A' ' 53' ' ' ARG . 19.7 mt -53.45 -34.89 59.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.971 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -50.23 41.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.704 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -28.39 69.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.163 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.925 HD21 ' CD2' ' A' ' 52' ' ' TYR . 1.5 tp -68.74 -49.45 58.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.407 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -60.84 -43.1 98.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.757 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -65.12 -44.22 89.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.856 ' CG ' HD11 ' A' ' 15' ' ' LEU . 6.9 mm-40 -63.1 -39.53 94.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.456 HD13 HD11 ' A' ' 49' ' ' ILE . 7.1 mt -67.54 -39.4 85.0 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.185 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' ASN . 22.0 m-80 -62.58 -50.28 71.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.207 0.527 . . . . 0.0 109.715 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 73' ' ' GLU . 8.9 t -60.91 -38.18 84.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.631 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.762 HD11 HD23 ' A' ' 15' ' ' LEU . 10.4 mt -78.44 -33.89 48.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.298 0.571 . . . . 0.0 110.424 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.73 -28.88 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.394 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.602 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.37 -44.01 98.73 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.132 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 39.2 Cg_endo -66.7 -25.86 46.21 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 121.323 1.349 . . . . 0.0 111.277 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.878 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.2 t80 -70.27 -44.04 69.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.775 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -36.87 68.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.521 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . . . -76.46 -35.59 58.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.24 0.543 . . . . 0.0 110.131 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -66.14 -40.68 90.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.737 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.481 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 0.6 OUTLIER -74.94 -42.34 57.88 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.709 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -60.51 -38.57 84.78 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.016 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 86' ' ' ARG . 1.9 t70 -71.39 -37.01 71.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.899 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -61.19 -50.32 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.462 179.304 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.838 HD12 ' HB3' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -70.04 -27.47 64.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.328 -179.742 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -7.68 54.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.732 0.301 . . . . 0.0 110.872 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.331 -0.198 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.156 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.33 -38.4 52.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.825 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -46.26 45.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.282 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -29.84 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -43.48 62.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.076 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -43.57 84.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.856 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.4 -51.26 70.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -66.86 -38.59 86.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.557 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . -60.99 -35.21 76.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 109.972 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.09 -36.25 51.8 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.404 -0.903 . . . . 0.0 110.966 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.951 HD23 HD11 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -69.62 -40.6 76.48 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-O 120.603 0.239 . . . . 0.0 110.81 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.931 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -68.02 -53.19 27.69 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.753 0.311 . . . . 0.0 110.623 -179.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -57.91 -37.44 74.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.792 ' CZ ' HD11 ' A' ' 22' ' ' LEU . 23.4 t80 -70.47 -43.41 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.754 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -42.88 90.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.212 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.2 t -74.4 -28.96 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.082 0.468 . . . . 0.0 109.816 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -63.34 -44.73 94.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.877 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.792 HD11 ' CZ ' ' A' ' 18' ' ' PHE . 60.4 mt -82.57 -49.35 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 111.638 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' GLN . 57.8 m-20 -68.83 -16.67 63.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 2.9 tp-100 -23.91 -73.14 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.048 -0.978 . . . . 0.0 113.373 -178.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -54.78 152.98 6.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.106 0.479 . . . . 0.0 112.131 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.5 p -83.98 88.68 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -62.01 116.6 5.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.359 0.6 . . . . 0.0 111.048 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -134.68 -66.66 0.59 Allowed 'General case' 0 C--O 1.23 0.068 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.834 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -126.36 91.63 3.4 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.08 88.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.32 -63.39 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.264 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 33' ' ' SER . 14.5 p -32.08 154.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.452 ' N ' HG22 ' A' ' 32' ' ' VAL . 65.2 p -50.4 137.31 18.99 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.971 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.869 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.1 pp20? -74.82 -44.74 47.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.696 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.89 -43.09 69.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.712 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.695 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.2 t70 -56.48 -56.25 23.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.454 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 41.5 tpp -57.97 -42.35 84.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 34' ' ' GLU . 98.3 t -56.43 -45.68 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.685 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -63.24 -37.05 85.7 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.596 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 36' ' ' ASP . 39.2 t -57.68 -36.71 55.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.276 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.806 HG11 HD11 ' A' ' 82' ' ' LEU . 32.4 t -70.72 -47.5 63.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.796 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 45' ' ' MET . 3.8 mt-10 -61.37 -44.14 97.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.867 0.365 . . . . 0.0 110.665 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.9 -46.45 84.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.769 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.5 ' CH2' HD11 ' A' ' 21' ' ' LEU . 16.5 m0 -59.05 -49.41 78.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 1.9 ptm -61.72 -42.06 98.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.09 -44.41 76.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.902 0.382 . . . . 0.0 110.388 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -58.41 -36.56 73.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.442 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.38 -46.29 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.765 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.858 HD11 ' HG3' ' A' ' 71' ' ' ARG . 1.4 tp -57.08 -48.92 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.422 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -66.5 -44.56 82.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.909 0.385 . . . . 0.0 111.071 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.76 -27.58 67.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -84.7 -41.34 16.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.762 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.851 ' HB3' HD11 ' A' ' 67' ' ' LEU . 13.4 ptm180 -58.08 -40.76 81.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.603 0.24 . . . . 0.0 110.999 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -32.78 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 46.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.758 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 63' ' ' ARG . 1.6 t -148.3 89.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 57' ' ' THR . 23.8 m -92.6 27.58 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.79 -171.84 27.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.165 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.38 161.09 4.39 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.491 ' HA ' ' CG ' ' A' ' 63' ' ' ARG . 29.2 Cg_endo -62.16 -26.77 78.08 Favored 'Trans proline' 0 CA--C 1.517 -0.343 0 C-N-CA 122.468 2.112 . . . . 0.0 112.164 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 10.4 mt-30 -72.94 -48.42 37.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -43.59 80.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.139 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.681 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -74.41 -47.66 32.47 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.079 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.54 -40.45 83.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.997 0.427 . . . . 0.0 110.953 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -73.95 -40.96 62.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.73 -32.21 71.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 0.0 110.62 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.851 HD11 ' HB3' ' A' ' 53' ' ' ARG . 3.3 mm? -72.26 -45.93 58.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.689 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' A' ' 65' ' ' LYS . 11.8 pt20 -63.39 -36.58 84.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.046 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -35.76 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.892 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.44 -51.98 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.174 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.858 ' HG3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -60.23 -36.61 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.494 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.479 ' O ' HG22 ' A' ' 76' ' ' THR . 5.4 tp60 -69.59 -49.3 55.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 8.4 pt-20 -58.53 -43.53 89.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' A' ' 18' ' ' PHE . 39.7 mt -65.94 -41.3 91.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.609 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -67.73 -31.99 72.3 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 72' ' ' GLN . 9.1 t -81.88 -28.42 32.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.507 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.951 HD11 HD23 ' A' ' 15' ' ' LEU . 13.0 mt -81.53 -39.93 23.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.703 ' HB2' ' HZ ' ' A' ' 18' ' ' PHE . . . -78.74 -20.15 50.66 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.444 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.552 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -59.11 -54.94 51.46 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.946 -178.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -60.0 -37.63 83.69 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 121.98 1.786 . . . . 0.0 111.785 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.753 ' CD2' ' HB3' ' A' ' 22' ' ' LEU . 2.9 t80 -67.42 -35.54 79.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.806 HD11 HG11 ' A' ' 41' ' ' VAL . 6.8 mp -77.54 -39.22 46.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.78 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.56 -36.03 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.152 0.501 . . . . 0.0 109.991 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 6.2 ttpm? -69.59 -46.4 66.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.606 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.519 ' O ' HD23 ' A' ' 89' ' ' LEU . 6.1 t80 -61.77 -44.99 95.79 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.822 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.409 ' HE ' HD11 ' A' ' 89' ' ' LEU . 1.1 mmp_? -57.39 -54.48 46.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.958 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -38.77 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.536 0.684 . . . . 0.0 109.477 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -61.19 -51.37 69.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.975 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.606 HD13 ' CB ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -74.24 -24.89 59.37 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.552 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -87.36 -13.84 42.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.46 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.331 -0.213 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 -179.513 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 120.599 0.238 . . . . 0.0 111.576 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.53 93.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.021 0.439 . . . . 0.0 110.644 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -63.46 -46.45 86.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.93 -31.6 72.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.941 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -65.45 -49.08 70.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.231 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.24 -46.47 90.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.871 0.367 . . . . 0.0 110.826 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 8' ' ' LYS . 21.1 mt -58.4 -50.6 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -58.98 -37.21 76.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.785 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.753 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -65.68 -45.91 81.09 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.87 79.01 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.005 -1.093 . . . . 0.0 111.224 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.666 HD23 HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -73.86 -40.36 63.3 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.569 0.223 . . . . 0.0 110.774 179.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.866 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -69.44 -43.2 73.81 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.774 0.321 . . . . 0.0 110.384 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.75 -46.73 89.32 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.468 ' CE1' HD21 ' A' ' 22' ' ' LEU . 3.4 t80 -55.51 -49.05 73.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.624 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -56.75 -40.47 75.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.247 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 16' ' ' LYS . 3.9 t -61.9 -42.5 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.146 0.498 . . . . 0.0 110.307 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.912 HD21 ' CE3' ' A' ' 44' ' ' TRP . 4.3 tp -58.97 -48.42 81.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.845 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.996 HD22 ' CD2' ' A' ' 81' ' ' PHE . 16.3 mt -59.8 -42.35 93.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.268 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.95 -33.93 71.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.91 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -85.97 62.25 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.056 0.455 . . . . 0.0 110.936 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.686 ' HG3' ' HE3' ' A' ' 37' ' ' MET . 0.5 OUTLIER -110.93 176.59 4.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.459 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . 19.9 t -94.81 62.82 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 121.259 0.552 . . . . 0.0 111.981 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.529 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 69.7 m-85 -64.82 167.3 7.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.641 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 27' ' ' PHE . 1.5 m-80 82.36 -88.48 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.602 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 26.8 m-20 -58.42 159.12 6.6 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.647 ' HB1' HD12 ' A' ' 89' ' ' LEU . . . -126.12 71.09 1.24 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.222 -0.299 . . . . 0.0 110.516 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.811 ' O ' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -152.19 56.64 0.83 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.159 0.504 . . . . 0.0 111.493 -178.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.926 HG11 ' OH ' ' A' ' 85' ' ' TYR . 13.8 p -133.09 16.15 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.83 112.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.347 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 38' ' ' VAL . 29.9 tt0 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.747 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.7 -35.2 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.764 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.877 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.3 t70 -62.31 -55.45 28.07 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.686 ' HE3' ' HG3' ' A' ' 25' ' ' GLN . 55.7 tpp -59.34 -46.4 88.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 34' ' ' GLU . 84.1 t -57.01 -42.9 80.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.2 m -64.29 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 110.228 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 36' ' ' ASP . 16.7 t -61.32 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.978 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.62 -43.91 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.845 0.355 . . . . 0.0 110.489 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -39.97 94.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.824 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -38.91 83.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.603 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.912 ' CE3' HD21 ' A' ' 21' ' ' LEU . 15.8 m0 -67.33 -48.45 67.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.757 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.55 ' O ' HD12 ' A' ' 49' ' ' ILE . 28.0 ttm -57.99 -48.89 78.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.539 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.38 -41.04 98.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.166 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -67.72 -32.17 72.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.553 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.79 -46.32 58.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 74' ' ' LEU . 1.3 mp -62.08 -40.41 87.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.582 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 7.1 m120 -68.85 -39.31 79.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.97 -31.87 51.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.891 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.38 -38.28 60.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.586 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.765 ' HB3' HD21 ' A' ' 67' ' ' LEU . 14.3 ptp180 -55.51 -21.58 17.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.572 0.225 . . . . 0.0 111.51 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -75.84 -32.96 60.02 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 111.359 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -86.53 25.97 1.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.927 HG11 ' HA ' ' A' ' 63' ' ' ARG . 9.4 t -94.58 26.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -26.96 -15.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.827 ' N ' ' O ' ' A' ' 56' ' ' VAL . . . -68.15 175.22 28.74 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 176.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.6 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -80.85 177.58 2.92 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 119.503 1.652 . . . . 0.0 111.341 -179.368 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.6 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.7 Cg_endo -44.88 -33.97 8.05 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.949 2.433 . . . . 0.0 113.057 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 7.7 pt20 -69.14 -38.74 78.97 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -67.94 -33.5 74.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.578 178.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.927 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -72.02 -55.39 7.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.234 179.339 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -40.58 79.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -76.87 -47.36 21.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.774 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -63.15 -39.16 93.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.046 0.45 . . . . 0.0 110.642 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 53' ' ' ARG . 51.5 mt -69.37 -46.01 67.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.464 ' HG2' ' HA ' ' A' ' 65' ' ' LYS . 6.1 pt20 -64.76 -39.01 92.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.903 0.382 . . . . 0.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.4 -35.82 80.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.22 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -51.78 41.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.096 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -36.03 77.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -65.77 -50.28 65.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.615 ' CB ' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -62.19 -33.54 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.342 179.596 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.559 HD12 HD11 ' A' ' 49' ' ' ILE . 43.8 mt -71.27 -50.99 27.0 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.263 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -61.07 -24.8 66.48 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.755 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.2 m -87.29 -22.85 24.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.76 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.666 HD11 HD23 ' A' ' 15' ' ' LEU . 12.3 mt -87.36 -38.87 15.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.97 0.414 . . . . 0.0 110.29 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.61 -18.25 45.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.24 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.47 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -59.2 -55.85 42.03 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.052 -179.032 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 43.0 Cg_endo -68.5 -29.11 31.3 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.118 1.879 . . . . 0.0 112.494 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.996 ' CD2' HD22 ' A' ' 22' ' ' LEU . 9.5 t80 -73.94 -48.16 32.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.562 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.515 HD11 HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -63.74 -39.71 94.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.481 -179.245 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.604 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . . . -70.62 -46.04 64.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 110.311 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -61.37 -38.99 89.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.861 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.926 ' OH ' HG11 ' A' ' 32' ' ' VAL . 6.0 t80 -72.47 -43.6 63.47 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.352 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.604 ' HG2' ' HA ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -59.58 -31.76 69.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.173 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 86' ' ' ARG . 0.7 OUTLIER -75.57 -35.02 60.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.038 178.672 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -65.62 -41.99 92.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.875 178.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.647 HD12 ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -74.61 -39.35 62.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.798 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -2.28 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.7 p . . . . . 0 C--N 1.332 -0.164 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.225 -0.186 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.34 -40.5 59.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 0.0 111.45 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -70.18 -46.53 64.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.237 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -27.13 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.675 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -71.96 -46.47 57.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.113 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.27 -43.71 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.917 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 mt -63.73 -51.56 68.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.578 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -34.81 76.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.659 0.266 . . . . 0.0 110.982 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.96 93.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 109.901 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.06 -35.78 89.64 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.39 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.91 -40.08 87.58 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.064 0.459 . . . . 0.0 110.084 179.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.835 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.9 tttt -68.48 -53.07 25.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.064 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.44 -43.09 75.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.718 ' CD1' HD11 ' A' ' 22' ' ' LEU . 4.6 t80 -66.33 -43.7 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.636 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -41.85 90.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -68.52 -40.5 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.488 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.978 HD11 ' CH2' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -56.55 -47.53 79.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.203 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.758 HD22 ' CD2' ' A' ' 81' ' ' PHE . 3.9 mt -73.37 -38.25 65.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.687 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -65.91 -19.24 65.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 21' ' ' LEU . 7.1 pt20 -88.31 57.06 4.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 111.79 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -110.54 176.75 4.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.09 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 26' ' ' VAL . 17.0 t -97.05 50.55 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 59.3 m-85 -63.07 87.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.999 0.904 . . . . 0.0 110.284 -178.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.424 ' N ' ' CE2' ' A' ' 88' ' ' PHE . 56.9 t30 175.72 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 113.733 -1.576 . . . . 0.0 108.018 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.26 161.11 19.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 113.99 -1.459 . . . . 0.0 107.309 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -124.14 160.29 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 119.287 0.949 . . . . 0.0 109.505 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.849 HD22 ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER 173.44 165.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.586 0.231 . . . . 0.0 110.441 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.849 ' HB ' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER 61.63 128.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.8 m -53.64 157.81 2.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 38' ' ' VAL . 35.9 tt0 -55.43 -44.67 76.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.62 -30.09 65.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.713 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.5 -55.14 30.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.178 179.582 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.521 ' HE2' ' HZ ' ' A' ' 81' ' ' PHE . 4.1 tpt -57.94 -48.5 79.75 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 34' ' ' GLU . 98.6 t -56.18 -44.42 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.63 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.3 m -63.63 -37.95 89.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 109.921 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 36' ' ' ASP . 59.9 t -55.0 -51.53 52.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.554 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.68 -32.77 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.956 0.408 . . . . 0.0 110.091 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -44.11 91.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.415 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.459 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 2.3 p30 -73.05 -39.04 66.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.694 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.978 ' CH2' HD11 ' A' ' 21' ' ' LEU . 35.7 m0 -62.66 -49.63 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.969 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.2 ttm -60.7 -48.99 79.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.589 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -63.78 -42.19 97.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.516 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -63.52 -35.72 81.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.548 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.9 -48.79 62.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.0 mm -58.31 -48.47 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.001 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -60.01 -47.83 84.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.094 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -63.25 -49.49 73.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.912 ' O ' HG23 ' A' ' 56' ' ' VAL . 6.7 m-85 -61.92 -36.77 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.56 ' HA ' HD21 ' A' ' 67' ' ' LEU . 40.3 tpt85 -52.91 -37.41 60.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.98 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -26.17 20.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.22 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -78.88 -18.56 53.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.885 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 52' ' ' TYR . 93.9 t -69.39 -87.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 121.136 -0.226 . . . . 0.0 111.108 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.641 HG22 ' H ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER 87.91 -168.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.694 0.397 . . . . 0.0 110.09 -179.026 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 57' ' ' THR . . . 80.39 -172.68 54.68 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.678 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 4.3 mt-10 -56.92 167.79 0.99 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 117.12 0.46 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 30.7 Cg_endo -63.57 -28.25 69.9 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.466 2.111 . . . . 0.0 112.595 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -68.82 -48.06 64.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.973 0.416 . . . . 0.0 110.097 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.91 -40.58 84.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.785 ' HA ' HG11 ' A' ' 56' ' ' VAL . 29.2 mtt180 -73.52 -55.06 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.91 -38.6 76.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.555 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -72.36 -47.25 50.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.811 0.339 . . . . 0.0 111.273 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.72 89.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.119 0.485 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 63' ' ' ARG . 4.3 mm? -68.37 -45.97 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.147 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 1.1 pp0? -64.54 -32.35 73.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.528 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 5.5 mt-10 -69.46 -40.81 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.078 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.849 HD12 HD11 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -65.94 -51.81 55.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.005 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 ttm105 -57.58 -34.92 69.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.034 0.445 . . . . 0.0 110.132 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.429 ' HA ' ' ND2' ' A' ' 75' ' ' ASN . 4.6 tp-100 -72.08 -50.5 27.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.037 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.734 ' OE1' HD12 ' A' ' 77' ' ' LEU . 1.2 pp20? -59.37 -40.24 85.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.036 0.446 . . . . 0.0 110.234 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.849 HD11 HD12 ' A' ' 70' ' ' LEU . 37.9 mt -64.96 -46.92 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.935 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 76' ' ' THR . 25.8 p30 -65.94 -31.09 71.81 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.321 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.487 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 14.3 t -82.82 -28.45 30.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.468 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.734 HD12 ' OE1' ' A' ' 73' ' ' GLU . 12.0 mt -79.95 -41.67 25.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.421 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.66 -21.18 61.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.5 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -59.08 -56.43 36.19 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.329 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 22.8 Cg_endo -61.57 -37.0 73.22 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.121 1.881 . . . . 0.0 112.476 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.758 ' CD2' HD22 ' A' ' 22' ' ' LEU . 4.1 t80 -63.8 -34.87 78.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -35.09 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.46 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.35 -37.77 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.11 0.481 . . . . 0.0 109.986 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HD3' ' CE1' ' A' ' 27' ' ' PHE . 2.7 tttm -63.96 -45.78 87.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.365 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.426 ' CD2' ' HG2' ' A' ' 37' ' ' MET . 2.5 t80 -67.17 -38.92 86.24 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.648 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -60.59 -37.68 82.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.048 0.451 . . . . 0.0 110.342 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -39.33 71.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.528 ' HE1' ' HB2' ' A' ' 30' ' ' ALA . 8.9 t80 -73.78 -28.17 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.709 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -48.02 33.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.631 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -26.1 47.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.519 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.502 -179.542 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.664 0.269 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.94 -33.6 25.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.217 0.532 . . . . 0.0 110.224 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.15 -39.82 65.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.854 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -40.16 92.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.221 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.79 -41.44 97.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.742 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -45.9 91.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.461 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.664 HG22 HD13 ' A' ' 15' ' ' LEU . 16.5 mm -65.1 -51.57 64.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.3 t -60.6 -41.96 95.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.644 0.259 . . . . 0.0 111.169 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.88 89.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.98 0.419 . . . . 0.0 110.208 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -75.05 -30.64 58.82 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.33 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.774 HD21 ' HG2' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -72.41 -39.85 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.019 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 20' ' ' VAL . 17.5 ttmt -65.64 -53.11 45.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.192 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 2.4 pp20? -56.17 -39.22 72.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.971 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.938 ' CE2' HD11 ' A' ' 22' ' ' LEU . 6.8 t80 -60.83 -49.09 78.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.019 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.09 -38.71 80.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.379 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.4 t -67.73 -32.45 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.126 0.488 . . . . 0.0 110.242 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.959 HD11 ' CH2' ' A' ' 44' ' ' TRP . 9.2 tp -77.06 -45.17 27.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.938 HD11 ' CE2' ' A' ' 18' ' ' PHE . 80.8 mt -66.08 -34.3 77.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' A' ' 25' ' ' GLN . 8.6 m-80 -85.59 -26.73 25.94 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -60.26 14.13 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 14.2 mm-40 -82.77 176.79 9.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 118.238 0.472 . . . . 0.0 110.253 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 26' ' ' VAL . 19.3 t -103.03 50.95 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 25' ' ' GLN . 2.2 m-85 -62.64 93.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.393 0.616 . . . . 0.0 110.401 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -156.88 -50.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.475 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.43 108.03 10.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.906 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 89' ' ' LEU . . . -71.45 109.93 5.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.923 0.868 . . . . 0.0 112.901 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.576 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 1.8 mp -170.79 170.08 6.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 113.745 -1.571 . . . . 0.0 107.612 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.576 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 1.3 p 112.87 -53.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.246 0.619 . . . . 0.0 111.786 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 11.2 t 146.44 129.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.797 0.439 . . . . 0.0 110.579 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.695 ' O ' HG23 ' A' ' 38' ' ' VAL . 15.5 tp10 -74.7 -47.01 33.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.66 -29.7 70.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.815 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.89 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.5 t70 -63.39 -56.15 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.429 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.465 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 52.8 tpp -58.05 -47.04 84.34 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 34' ' ' GLU . 78.0 t -56.63 -44.86 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.162 -178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -34.22 77.51 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-O 120.989 0.423 . . . . 0.0 110.388 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 36' ' ' ASP . 29.6 t -63.73 -48.97 84.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.05 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.661 HG22 ' HE2' ' A' ' 81' ' ' PHE . 31.3 t -59.94 -47.59 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -41.08 98.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.395 . . . . 0.0 110.698 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -60.99 -50.32 73.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.31 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.959 ' CH2' HD11 ' A' ' 21' ' ' LEU . 49.8 m0 -61.19 -48.78 79.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.509 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.539 ' O ' HD12 ' A' ' 49' ' ' ILE . 23.3 ttp -55.76 -48.83 74.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.783 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -63.47 -39.64 94.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.827 0.346 . . . . 0.0 110.959 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -65.82 -38.53 89.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.423 . . . . 0.0 110.455 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 2.5 m-85 -65.49 -48.4 72.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.029 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.609 HG23 HD12 ' A' ' 67' ' ' LEU . 1.3 mp -59.1 -48.0 88.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.759 0.314 . . . . 0.0 110.786 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.408 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -61.43 -35.32 77.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.457 -179.602 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -82.21 -30.68 30.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.535 ' HD2' HD21 ' A' ' 70' ' ' LEU . 4.4 m-85 -76.02 -40.52 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.569 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.959 ' HA ' HD21 ' A' ' 67' ' ' LEU . 4.2 ptm85 -53.4 -30.16 38.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 111.081 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -80.8 -15.18 57.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.468 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -95.48 23.5 5.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.783 0.325 . . . . 0.0 111.475 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.659 HG12 ' H ' ' A' ' 58' ' ' GLY . 14.1 t -98.99 -83.94 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.041 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.604 HG23 ' C ' ' A' ' 56' ' ' VAL . 2.5 p 88.06 4.51 0.27 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.096 0.558 . . . . 0.0 111.605 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.659 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -86.92 -179.85 48.8 Favored Glycine 0 C--N 1.331 0.302 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.46 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 3.7 pm0 -67.45 162.71 53.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 117.817 0.809 . . . . 0.0 110.717 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 5.3 Cg_endo -47.09 -32.32 13.25 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.751 2.301 . . . . 0.0 112.699 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.47 -47.96 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.488 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -35.89 82.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.469 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HA ' HG11 ' A' ' 56' ' ' VAL . 4.5 ttm180 -70.85 -49.85 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.743 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -36.11 77.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -64.73 -47.33 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.35 -53.0 59.45 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.727 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.959 HD21 ' HA ' ' A' ' 53' ' ' ARG . 3.4 mm? -53.53 -31.95 48.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.648 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -71.96 -41.64 67.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -69.32 -37.38 77.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.251 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.535 HD21 ' HD2' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -66.87 -45.42 78.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.144 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -43.14 98.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.516 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -62.53 -49.45 75.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.774 ' HG2' HD21 ' A' ' 15' ' ' LEU . 1.7 mt-10 -60.16 -43.8 95.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.425 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 HD11 ' A' ' 49' ' ' ILE . 5.1 mt -59.96 -43.85 94.81 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.411 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -64.79 -36.4 84.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 12.0 m -67.97 -39.53 83.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.362 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.466 HD11 HD23 ' A' ' 15' ' ' LEU . 51.4 mt -79.46 -37.13 37.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.362 0.601 . . . . 0.0 109.965 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.545 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -76.07 -26.35 56.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.196 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.527 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.4 m-20 -58.47 -53.91 61.31 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.113 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 31.7 Cg_endo -63.8 -31.37 68.38 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 121.826 1.684 . . . . 0.0 111.964 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.782 ' CD2' HD22 ' A' ' 22' ' ' LEU . 10.9 t80 -74.34 -49.75 21.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.241 0.543 . . . . 0.0 111.141 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 tt -73.08 -35.09 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.597 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 86' ' ' ARG . . . -76.74 -37.95 55.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 110.721 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -70.9 -35.04 72.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.947 179.295 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.542 ' O ' HD12 ' A' ' 89' ' ' LEU . 30.3 t80 -73.09 -48.13 38.42 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.869 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.619 ' O ' HD13 ' A' ' 89' ' ' LEU . 11.1 ptm180 -59.75 -41.54 91.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.493 0.663 . . . . 0.0 109.849 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' SER . 2.4 m-20 -70.54 -31.83 69.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.216 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 66.6 t80 -66.85 -52.44 43.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.108 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.707 HD22 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.38 -22.34 57.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.555 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.421 ' N ' HD13 ' A' ' 89' ' ' LEU . 10.9 mmtt -89.08 -14.79 35.51 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.742 0.306 . . . . 0.0 111.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 32.5 t . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 120.887 0.375 . . . . 0.0 111.006 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 120.726 0.298 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.48 81.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.86 -46.54 68.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.667 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -65.29 -37.11 86.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.385 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.87 -48.82 78.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.337 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -45.41 93.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.283 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.523 HG22 HD13 ' A' ' 15' ' ' LEU . 15.7 mt -62.4 -51.26 74.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.331 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.3 m -64.48 -35.83 82.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.298 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.86 71.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.753 0.311 . . . . 0.0 110.617 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.73 -34.63 83.71 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.524 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -68.9 -39.79 79.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 110.213 179.46 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.717 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -62.4 -53.13 59.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.412 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.31 -41.45 79.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.5 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.63 ' CE2' HD12 ' A' ' 22' ' ' LEU . 39.2 t80 -59.67 -40.49 87.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -41.57 82.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.525 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.7 t -63.79 -36.92 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.144 0.497 . . . . 0.0 110.781 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.775 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -79.25 -42.35 26.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.838 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.96 HD21 ' CG ' ' A' ' 81' ' ' PHE . 5.2 tt -65.83 -36.59 83.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.04 -0.42 44.29 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.03 21.31 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.622 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 46.2 mm-40 -76.72 176.77 8.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.713 0.292 . . . . 0.0 110.964 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.02 HG11 HD21 ' A' ' 31' ' ' LEU . 14.6 p -106.46 51.47 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 98.5 m-85 -62.74 85.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.858 0.837 . . . . 0.0 110.447 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 175.27 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.137 -1.392 . . . . 0.0 107.738 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.57 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.7 m-20 -126.15 160.69 29.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 177.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.768 ' C ' HD23 ' A' ' 31' ' ' LEU . . . -124.78 156.87 37.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 119.868 1.213 . . . . 0.0 109.38 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.02 HD21 HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -139.71 6.77 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.696 -0.402 . . . . 0.0 112.052 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 33' ' ' SER . 9.9 p -170.36 161.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.923 0.392 . . . . 0.0 111.719 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.475 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -62.74 165.43 6.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.138 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.87 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.3 pm0 -66.6 -34.95 79.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -37.8 76.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.6 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.906 ' O ' HG23 ' A' ' 40' ' ' VAL . 21.9 t70 -58.67 -53.71 55.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.273 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.775 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -57.91 -43.32 86.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 34' ' ' GLU . 98.3 t -56.43 -44.68 80.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.999 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.8 m -68.99 -38.03 79.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 110.157 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 36' ' ' ASP . 36.9 t -60.51 -49.6 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.599 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 37' ' ' MET . 21.3 t -59.39 -48.03 88.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.371 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -38.88 90.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.73 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -51.23 68.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.974 0.416 . . . . 0.0 110.348 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.723 ' CH2' HD11 ' A' ' 21' ' ' LEU . 50.7 m0 -58.89 -47.34 85.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.773 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 41.1 ttp -60.69 -45.12 95.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -66.38 -43.26 86.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.016 0.436 . . . . 0.0 110.447 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 52.8 t80 -63.84 -36.2 83.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.721 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -75.1 -46.07 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 50' ' ' ASN . 3.6 tp -61.01 -45.23 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.999 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -67.88 -48.01 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.291 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 47' ' ' PHE . 10.3 t80 -59.96 -46.1 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.636 ' CD2' HD21 ' A' ' 70' ' ' LEU . 16.6 m-85 -68.61 -30.91 69.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.699 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.64 ' HA ' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -53.81 -32.48 52.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -82.03 -32.65 30.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -68.36 50.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.251 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.691 HG11 ' CA ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -147.67 177.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.161 179.696 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.538 ' HB ' ' O ' ' A' ' 56' ' ' VAL . 4.2 t 143.91 -15.97 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.994 0.809 . . . . 0.0 110.827 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . -70.75 0.65 26.91 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.009 -0.615 . . . . 0.0 114.135 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 1.4 pt-20 153.74 149.21 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 117.431 0.615 . . . . 0.0 111.308 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.88 -31.29 84.9 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.363 2.042 . . . . 0.0 110.657 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG3' ' HG3' ' A' ' 65' ' ' LYS . 16.3 tt0 -69.45 -29.79 67.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.579 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.513 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -71.03 -53.15 15.76 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.938 179.123 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.691 ' CA ' HG11 ' A' ' 56' ' ' VAL . 4.3 ptp180 -64.5 -54.9 25.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.464 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.79 -44.66 82.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.966 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 61' ' ' GLN . 3.1 mmpt? -77.39 -36.84 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.705 0.288 . . . . 0.0 111.632 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -66.33 -49.68 66.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 0.0 110.551 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.64 HD21 ' HA ' ' A' ' 53' ' ' ARG . 4.0 mm? -67.09 -42.2 85.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -68.44 -38.68 81.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 110.485 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -69.55 -32.77 71.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.019 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.636 HD21 ' CD2' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -70.16 -51.97 27.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -57.29 -36.48 71.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.685 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -74.51 -50.53 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.708 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.638 ' HB3' HD21 ' A' ' 15' ' ' LEU . 56.3 mm-40 -56.63 -51.04 70.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.076 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.62 -48.75 80.45 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.581 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -57.85 -26.99 62.81 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.467 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -85.25 -23.34 28.26 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.593 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.38 -49.05 11.14 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.234 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.04 -21.82 64.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.277 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.447 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -58.62 -59.57 13.18 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.688 -178.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 34.2 Cg_endo -64.24 -25.73 64.7 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.18 1.92 . . . . 0.0 112.355 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.96 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.4 t80 -73.31 -47.53 41.95 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.943 0.402 . . . . 0.0 111.216 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.736 HD11 HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.85 -39.76 94.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.062 -179.65 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.71 -34.76 69.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.042 0.449 . . . . 0.0 110.01 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.401 ' HA ' ' OD2' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -64.79 -45.21 87.26 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.746 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.444 ' CE2' ' CG ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -74.58 -28.74 61.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.897 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -72.21 -41.79 66.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.547 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 91' ' ' SER . 0.1 OUTLIER -69.14 -41.89 76.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 1.5 t80 -70.61 -35.07 72.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.461 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.66 HD12 ' HB3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -74.14 -44.84 52.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.494 179.724 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -26.22 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 73.3 p . . . . . 0 C--N 1.331 -0.224 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 tptp . . . . . 0 N--CA 1.461 0.079 0 CA-C-O 120.743 0.306 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.58 -46.53 66.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.095 0.474 . . . . 0.0 110.341 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.585 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.3 m-20 -73.54 -45.27 54.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.267 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -60.97 -43.57 98.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.343 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.73 -43.66 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.194 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -45.54 85.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.899 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 7' ' ' ASN . 1.7 mp -64.52 -51.5 67.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.306 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -60.43 -41.95 95.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.82 92.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.0 110.291 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.13 -28.57 71.41 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.653 -0.785 . . . . 0.0 111.528 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CG ' ' HB2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -72.21 -39.83 68.28 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.638 0.256 . . . . 0.0 110.865 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.902 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -71.13 -43.23 68.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.76 0.314 . . . . 0.0 110.961 -179.62 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.561 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 5.1 tt0 -63.58 -44.3 94.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.318 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.873 ' CE2' HD11 ' A' ' 22' ' ' LEU . 10.4 t80 -64.8 -43.53 92.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.738 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 p -63.18 -41.67 99.24 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 16' ' ' LYS . 5.3 t -69.74 -41.25 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.309 0.576 . . . . 0.0 110.238 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.836 HD11 ' CH2' ' A' ' 44' ' ' TRP . 2.8 tp -61.03 -49.05 78.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.025 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.873 HD11 ' CE2' ' A' ' 18' ' ' PHE . 90.3 mt -69.26 -31.9 70.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.949 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.496 ' C ' ' H ' ' A' ' 25' ' ' GLN . 18.7 m-80 -84.06 -32.2 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.585 ' HG3' HG12 ' A' ' 20' ' ' VAL . 6.3 mt-30 -59.28 24.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.496 ' H ' ' C ' ' A' ' 23' ' ' ASN . 15.8 mm-40 -88.07 176.78 7.14 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.894 -0.504 . . . . 0.0 109.945 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 26' ' ' VAL . 35.4 m -102.45 50.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 31.5 m-85 -62.93 101.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.388 0.613 . . . . 0.0 110.841 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -170.01 -46.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.785 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.703 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -126.47 101.93 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.284 178.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.705 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . . . -71.05 115.41 10.16 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 122.236 1.017 . . . . 0.0 113.109 -175.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 29' ' ' ASP . 0.6 OUTLIER 179.69 160.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 113.272 -1.786 . . . . 0.0 107.941 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.7 p 126.43 -51.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.203 0.601 . . . . 0.0 110.728 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 3.4 t 150.44 129.13 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.929 0.491 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.578 ' HB2' HD21 ' A' ' 89' ' ' LEU . 42.1 tt0 -74.63 -47.19 33.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.969 0.414 . . . . 0.0 111.526 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -28.95 67.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.254 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.881 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.2 m-20 -63.96 -54.58 32.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 0.0 110.137 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.457 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.94 -50.29 73.86 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.632 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 34' ' ' GLU . 53.8 t -56.28 -44.68 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.0 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.577 HG22 ' OD2' ' A' ' 43' ' ' ASP . 45.5 m -63.17 -35.73 81.28 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.416 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 36' ' ' ASP . 45.6 t -62.48 -49.13 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.753 HG22 ' CE2' ' A' ' 81' ' ' PHE . 47.0 t -59.68 -48.85 85.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.759 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -43.59 96.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.757 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.577 ' OD2' HG22 ' A' ' 39' ' ' THR . 0.9 OUTLIER -60.86 -50.66 72.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.836 ' CH2' HD11 ' A' ' 21' ' ' LEU . 45.8 m0 -59.39 -48.62 80.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.964 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.921 ' HG3' HD12 ' A' ' 74' ' ' LEU . 6.5 ttp -55.24 -48.98 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.301 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -62.82 -42.41 99.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -63.86 -33.57 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -69.84 -49.62 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.79 -50.99 77.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.76 -43.72 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.367 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -66.47 -49.6 66.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 111.153 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -61.68 -33.63 74.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.41 -38.77 69.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -84.35 -0.61 53.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.579 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.91 30.25 5.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.716 0.293 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' A' ' 63' ' ' ARG . 1.3 t -143.14 118.22 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -160.86 56.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . -135.07 10.56 4.47 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.644 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 1.3 pt-20 147.6 144.62 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.556 0 C-N-CA 123.571 0.748 . . . . 0.0 110.691 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.94 -28.17 76.59 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.217 1.944 . . . . 0.0 110.725 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -71.1 -33.78 70.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.169 178.56 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.644 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -70.69 -41.47 71.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.429 179.251 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HA ' HG11 ' A' ' 56' ' ' VAL . 16.4 mtm180 -73.37 -55.85 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.063 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.56 -41.24 89.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -76.86 -37.19 56.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.881 -179.053 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -74.56 -37.13 63.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.966 0.412 . . . . 0.0 110.769 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.0 mt -72.08 -38.59 69.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.202 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -68.45 -39.95 81.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.94 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -33.84 75.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.827 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.469 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.68 -52.1 48.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.223 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -58.85 -37.19 75.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.078 0.466 . . . . 0.0 110.354 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -70.77 -46.58 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.697 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 7.8 pt-20 -68.57 -22.89 64.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.741 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.921 HD12 ' HG3' ' A' ' 45' ' ' MET . 0.1 OUTLIER -79.82 -48.38 13.64 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.957 178.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 55.5 m-80 -67.06 -25.93 66.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.6 m -83.29 -33.14 26.03 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.94 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.4 -33.25 25.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.082 0.467 . . . . 0.0 110.262 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.6 -21.21 38.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.136 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.526 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -59.12 -52.25 76.01 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 -178.498 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 42.9 Cg_endo -68.73 -31.2 26.25 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 121.97 1.78 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.776 ' CD2' HD22 ' A' ' 22' ' ' LEU . 1.7 t80 -71.92 -46.36 57.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.476 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.6 mt -69.69 -39.77 76.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.334 -0.394 . . . . 0.0 112.002 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.08 -35.13 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.019 0.438 . . . . 0.0 110.411 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -67.17 -38.11 84.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.343 179.537 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 37' ' ' MET . 8.0 t80 -71.18 -44.37 65.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.708 0.289 . . . . 0.0 111.216 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -54.46 46.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.027 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -62.3 -38.6 90.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.091 0.472 . . . . 0.0 110.241 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.705 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 26.5 t80 -64.08 -41.72 97.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 34' ' ' GLU . 15.0 tp -74.3 -33.19 63.13 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -89.89 -18.65 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.714 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.645 0.26 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.4 -38.19 52.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.971 0.415 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -72.36 -46.61 54.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.766 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -34.12 76.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.593 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -68.95 -44.08 73.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.116 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.521 HD21 ' CD1' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -67.24 -45.17 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.85 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.412 HD11 ' HB1' ' A' ' 66' ' ' ALA . 31.2 mm -63.46 -51.11 74.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.744 0.307 . . . . 0.0 110.749 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 t -65.43 -39.41 92.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.05 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.094 0.473 . . . . 0.0 110.229 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.01 -39.1 59.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.202 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.759 HD11 ' HG3' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -68.17 -39.66 82.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.562 0.22 . . . . 0.0 110.866 179.535 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -65.67 -53.21 44.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.958 0.408 . . . . 0.0 110.472 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.26 -37.3 72.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.282 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.657 ' CE2' HD11 ' A' ' 22' ' ' LEU . 3.4 t80 -68.66 -42.7 77.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.552 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.4 p -61.56 -40.17 93.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.806 0.336 . . . . 0.0 111.101 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 16' ' ' LYS . 8.7 t -71.56 -37.54 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.403 0.621 . . . . 0.0 109.767 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.96 HD11 ' CH2' ' A' ' 44' ' ' TRP . 10.6 tp -61.55 -49.2 77.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.725 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.753 HD22 ' HD2' ' A' ' 81' ' ' PHE . 52.3 mt -69.57 -32.7 71.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.066 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 25' ' ' GLN . 12.9 m-20 -76.84 -34.27 57.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -59.72 21.12 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -81.47 176.64 9.52 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.746 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 26' ' ' VAL . 21.9 t -106.11 50.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.776 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 25' ' ' GLN . 30.4 m-85 -62.6 96.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.782 0.801 . . . . 0.0 110.406 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -171.24 -69.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.421 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.32 92.13 3.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.591 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.689 ' C ' HD22 ' A' ' 31' ' ' LEU . . . -72.88 101.99 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.141 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.689 HD22 ' C ' ' A' ' 30' ' ' ALA . 3.9 mm? -135.27 38.88 2.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.995 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.698 HG22 ' N ' ' A' ' 33' ' ' SER . 0.9 OUTLIER -120.35 -91.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.47 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.698 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -167.39 138.49 3.06 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.926 0.393 . . . . 0.0 111.051 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.748 ' OE2' HD12 ' A' ' 89' ' ' LEU . 4.8 tp10 -74.74 -47.15 32.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.666 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.67 -33.24 75.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.558 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.902 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -61.84 -55.51 29.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.35 . . . . 0.0 110.148 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.498 ' HE1' ' NE2' ' A' ' 25' ' ' GLN . 37.2 tpp -57.78 -48.78 78.69 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.7 t -56.01 -45.16 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.953 -177.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 m -63.52 -34.74 78.44 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.299 -0.561 . . . . 0.0 110.455 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 36' ' ' ASP . 26.0 t -62.15 -51.18 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.215 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.444 HG22 ' CE2' ' A' ' 81' ' ' PHE . 39.8 t -59.42 -49.29 84.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -44.73 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.11 -41.16 91.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.192 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.96 ' CH2' HD11 ' A' ' 21' ' ' LEU . 31.3 m0 -66.0 -49.14 68.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.879 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.417 ' O ' HD13 ' A' ' 49' ' ' ILE . 30.0 ttm -54.1 -49.01 70.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.325 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -42.18 98.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.947 0.403 . . . . 0.0 110.357 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.487 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 67.6 t80 -60.74 -36.28 78.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.825 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -69.06 -49.17 59.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.182 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.475 HD11 HD12 ' A' ' 74' ' ' LEU . 1.7 mp -57.03 -53.22 45.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.698 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -67.19 -33.46 75.44 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 47' ' ' PHE . 23.3 t80 -73.14 -49.57 27.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.873 0.368 . . . . 0.0 111.206 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.521 ' CD1' HD21 ' A' ' 10' ' ' LEU . 1.3 m-85 -62.2 -35.17 78.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 56' ' ' VAL . 1.8 ttp180 -56.04 -40.31 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -88.51 -6.41 57.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.119 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' OE1' ' CD2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -96.64 37.39 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.965 0.412 . . . . 0.0 111.099 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.851 HG12 ' NH1' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -131.66 -162.16 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 -179.629 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER 175.2 17.49 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 179.196 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.692 ' H ' ' CD ' ' A' ' 63' ' ' ARG . . . -101.67 -167.02 27.37 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 63' ' ' ARG . 1.9 mp0 -59.59 160.34 14.43 Favored Pre-proline 0 CA--C 1.528 0.099 0 CA-C-N 117.567 0.684 . . . . 0.0 111.194 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.05 -30.04 32.77 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.76 2.307 . . . . 0.0 112.971 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -73.07 -44.92 59.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.48 ' HB3' HH21 ' A' ' 63' ' ' ARG . 1.0 OUTLIER -67.67 -42.4 82.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.619 179.512 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.851 ' NH1' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -65.74 -43.8 87.91 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.473 179.332 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.43 -39.89 81.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.138 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -47.58 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.753 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -65.57 -52.08 54.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 53' ' ' ARG . 1.8 mm? -48.53 -39.0 21.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.409 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 3.1 mt-30 -65.78 -50.5 64.49 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.016 0.436 . . . . 0.0 110.361 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.98 -38.02 78.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.296 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -47.48 85.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.176 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -57.73 -50.99 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.186 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 68' ' ' GLN . 2.3 mm100 -57.78 -50.33 73.61 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.81 0.338 . . . . 0.0 111.05 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.759 ' HG3' HD11 ' A' ' 15' ' ' LEU . 8.4 mm-40 -55.37 -49.51 72.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.812 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.494 HD22 ' CZ ' ' A' ' 18' ' ' PHE . 46.5 mt -57.14 -43.35 82.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -65.88 -48.83 70.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.171 0.51 . . . . 0.0 109.841 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.426 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 32.6 m -58.38 -34.08 70.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.391 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -80.09 -48.43 13.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.711 0.767 . . . . 0.0 109.165 178.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.43 -28.87 70.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.373 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.453 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -58.31 -58.61 17.65 Favored Pre-proline 0 CA--C 1.53 0.184 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 14.1 Cg_endo -57.48 -31.85 92.52 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 121.756 1.637 . . . . 0.0 112.113 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.753 ' HD2' HD22 ' A' ' 22' ' ' LEU . 2.0 t80 -70.68 -39.79 73.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.566 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.53 -39.61 58.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.452 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.26 66.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.785 0.326 . . . . 0.0 110.688 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 81' ' ' PHE . 13.7 ptmm? -70.96 -37.72 72.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.583 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.29 -39.51 74.81 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.738 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -54.54 37.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.947 0.404 . . . . 0.0 110.033 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -35.82 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.87 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 3.1 t80 -60.92 -49.88 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.748 HD12 ' OE2' ' A' ' 34' ' ' GLU . 58.4 mt -74.1 -26.88 60.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.762 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -88.29 -10.48 49.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.272 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.0 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.384 -179.607 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.461 ' HA ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.94 82.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.349 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 11' ' ' ILE . 65.1 t30 -67.84 -46.52 71.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' CG ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -68.41 -39.68 81.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.86 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.528 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 52' ' ' TYR . 1.3 mm? -62.38 -45.78 91.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.43 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 7' ' ' ASN . 16.0 mt -62.96 -51.59 70.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.531 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -67.47 -36.91 82.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.563 0.22 . . . . 0.0 111.222 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.664 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -64.96 -44.65 88.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.967 0.413 . . . . 0.0 110.512 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.18 -34.42 75.54 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.118 -1.039 . . . . 0.0 111.288 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.634 HD11 ' HG3' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -71.75 -40.5 69.31 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 121.236 -0.186 . . . . 0.0 110.656 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.883 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -65.87 -43.3 88.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.835 0.35 . . . . 0.0 110.142 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -40.86 96.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.985 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.826 ' CD2' HD11 ' A' ' 22' ' ' LEU . 7.8 t80 -59.11 -49.09 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.809 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -42.55 90.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.462 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.7 t -63.02 -35.64 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.06 0.457 . . . . 0.0 110.467 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.027 HD11 ' CH2' ' A' ' 44' ' ' TRP . 1.1 tp -72.54 -45.42 59.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.469 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.826 HD11 ' CD2' ' A' ' 18' ' ' PHE . 26.3 mt -63.08 -35.27 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.734 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -6.38 57.13 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -97.22 48.55 1.04 Allowed 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.605 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.8 mp0 -110.96 176.62 4.95 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 26' ' ' VAL . 19.5 t -93.34 50.06 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 60.6 m-85 -63.54 85.62 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.748 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -159.12 -53.93 0.06 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.969 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -125.79 92.08 3.53 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.256 0.55 . . . . 0.0 111.611 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.788 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -73.32 166.11 23.79 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -177.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.73 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 4.0 mm? 118.2 71.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.287 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 31' ' ' LEU . 4.3 p 144.58 -52.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 122.977 0.511 . . . . 0.0 111.348 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 37' ' ' MET . 39.0 m -55.33 -21.76 16.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.313 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.623 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.62 -48.27 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.216 -179.341 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -72.99 -53.23 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.294 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.942 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.7 t70 -57.38 -52.21 66.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.47 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.548 ' HB2' ' O ' ' A' ' 33' ' ' SER . 4.0 ttm -57.72 -42.56 84.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.753 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' GLU . 2.4 t -56.68 -45.2 82.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.77 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.13 -37.39 78.29 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 121.074 0.464 . . . . 0.0 110.023 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 36' ' ' ASP . 47.0 t -58.59 -51.59 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.717 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.06 -45.09 96.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.448 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.73 -41.74 98.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.674 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -48.01 70.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.77 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.027 ' CH2' HD11 ' A' ' 21' ' ' LEU . 24.7 m0 -58.75 -48.63 80.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.568 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 31.3 ttm -57.01 -48.08 79.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -61.23 -42.75 99.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -61.92 -34.48 76.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.015 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -72.24 -46.55 55.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.53 -49.94 78.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.045 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -64.72 -47.0 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -60.11 -49.41 77.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.606 ' CE1' HD12 ' A' ' 10' ' ' LEU . 2.9 m-85 -63.22 -31.89 73.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.66 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.77 -37.82 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.784 179.513 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -87.84 -21.75 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.81 31.43 0.96 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.804 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.767 HG11 ' HB2' ' A' ' 63' ' ' ARG . 21.4 t -66.97 -111.8 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 56' ' ' VAL . 21.9 p 126.61 -33.91 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.281 1.032 . . . . 0.0 110.855 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.77 -178.16 42.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.113 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.526 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.5 mp0 -72.26 172.61 7.03 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 122.239 0.216 . . . . 0.0 110.993 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.1 Cg_endo -44.99 -35.75 10.52 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.739 2.293 . . . . 0.0 112.623 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -70.97 -48.18 54.78 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -33.03 73.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.285 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.767 ' HB2' HG11 ' A' ' 56' ' ' VAL . 24.3 ttm180 -74.36 -55.66 5.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.924 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.76 -36.83 72.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.165 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -72.92 -47.13 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.15 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.6 98.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.771 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 63' ' ' ARG . 3.4 mm? -67.73 -41.74 83.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.204 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -69.83 -31.99 70.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.777 0.322 . . . . 0.0 110.759 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -71.69 -36.73 70.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.113 0.482 . . . . 0.0 110.193 179.417 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 HD11 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -65.82 -51.54 58.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.688 178.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -57.62 -43.66 84.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.576 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 6.1 pt20 -64.38 -39.46 93.9 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.59 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.634 ' HG3' HD11 ' A' ' 15' ' ' LEU . 45.1 mm-40 -64.83 -41.92 95.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.522 HD11 HD12 ' A' ' 70' ' ' LEU . 80.1 mt -65.71 -45.09 84.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.0 -35.92 82.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.014 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.496 HG23 HD23 ' A' ' 77' ' ' LEU . 1.6 t -80.04 -25.46 40.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.349 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.496 HD23 HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -80.29 -43.84 20.6 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 179.263 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.8 -19.64 57.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.574 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -58.85 -54.47 56.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.059 -178.607 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 32.2 Cg_endo -65.2 -32.12 52.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 121.931 1.754 . . . . 0.0 112.041 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.72 ' HD2' HD22 ' A' ' 22' ' ' LEU . 1.9 t80 -71.0 -42.31 69.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.99 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.657 ' O ' HD23 ' A' ' 82' ' ' LEU . 6.9 tt -71.42 -40.18 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.456 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' A' ' 86' ' ' ARG . . . -74.95 -33.25 61.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.101 0.477 . . . . 0.0 110.482 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -68.12 -39.74 82.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.135 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.436 ' O ' HD23 ' A' ' 89' ' ' LEU . 1.2 t80 -70.67 -47.84 57.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.461 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -57.45 -42.19 82.02 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.398 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -38.65 91.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.1 t80 -60.21 -51.23 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.421 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.788 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -74.33 -25.53 59.6 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 1.9 mptt -87.26 -34.13 19.03 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.635 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.872 0.368 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.07 -34.87 31.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -40.36 88.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.206 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -68.62 -31.12 70.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.466 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 13.5 t0 -65.85 -49.14 69.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.998 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.735 HD11 ' NE2' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -63.64 -44.02 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.947 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.646 HG22 HD13 ' A' ' 15' ' ' LEU . 63.3 mt -61.11 -50.63 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.505 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.6 t -58.95 -42.19 89.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.326 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.57 91.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 110.399 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.22 -33.81 83.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.658 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -67.85 -39.5 83.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.339 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 tttm -61.74 -53.12 60.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.232 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.53 -43.04 84.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.424 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -56.27 -44.22 79.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.191 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -66.93 -38.91 87.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.341 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 16' ' ' LYS . 3.6 t -62.59 -41.35 91.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.21 0.528 . . . . 0.0 110.232 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.963 HD11 ' CH2' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -74.44 -38.62 62.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.666 179.048 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -56.48 -36.58 69.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.478 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -98.68 -13.36 20.32 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 21' ' ' LEU . 5.3 pt20 -65.16 -2.06 2.64 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.71 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 46.3 mm-40 -76.23 176.53 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.182 -0.324 . . . . 0.0 110.448 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 m -102.47 50.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.71 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 94.0 m-85 -62.63 85.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.347 0.594 . . . . 0.0 111.432 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -134.56 -68.41 0.54 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.485 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.751 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -126.32 126.89 44.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.386 178.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.56 94.86 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.296 0.57 . . . . 0.0 112.457 -177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -140.75 45.59 1.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.227 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.721 HG13 ' H ' ' A' ' 33' ' ' SER . 1.1 p -133.41 -76.13 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.465 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.721 ' H ' HG13 ' A' ' 32' ' ' VAL . 0.9 OUTLIER 174.3 135.2 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.769 0.319 . . . . 0.0 110.753 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -74.77 -47.08 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.606 -179.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.15 -28.95 66.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.911 ' O ' HG23 ' A' ' 40' ' ' VAL . 19.3 m-20 -63.74 -55.45 23.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.474 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 40.0 tpp -57.88 -48.58 79.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 34' ' ' GLU . 64.0 t -56.62 -44.64 81.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.849 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.2 m -63.67 -33.26 75.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 36' ' ' ASP . 48.6 t -69.08 -41.11 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.703 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.537 HG22 ' CE2' ' A' ' 81' ' ' PHE . 24.2 t -59.51 -55.58 22.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.086 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 45' ' ' MET . 0.0 OUTLIER -61.9 -34.7 76.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.374 179.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -46.07 89.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.963 ' CH2' HD11 ' A' ' 21' ' ' LEU . 43.3 m0 -65.53 -49.02 70.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.681 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 27.5 ptm -57.72 -45.93 85.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.544 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.32 -40.15 89.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -66.28 -36.18 82.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -67.57 -46.53 72.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 74' ' ' LEU . 31.6 mm -60.22 -56.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.3 -35.92 70.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.431 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -73.48 -49.51 26.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 111.781 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.429 ' HA ' ' CG ' ' A' ' 55' ' ' GLN . 8.4 m-85 -60.02 -31.25 69.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.798 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.6 ttp180 -54.54 -31.93 57.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 111.236 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -77.6 -22.56 50.66 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.735 ' NE2' HD11 ' A' ' 10' ' ' LEU . 4.4 pt20 -96.78 28.4 3.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.032 0.444 . . . . 0.0 111.38 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.767 HG12 ' H ' ' A' ' 58' ' ' GLY . 48.5 t -81.27 -91.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.002 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.53 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 3.6 m 96.1 -16.79 0.08 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.964 0.506 . . . . 0.0 111.395 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.767 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -83.16 177.95 53.0 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.13 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.4 mp0 -76.51 172.57 9.22 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 117.723 0.761 . . . . 0.0 110.794 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.6 Cg_endo -44.94 -32.17 6.13 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.834 2.356 . . . . 0.0 113.024 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 25.8 tt0 -73.34 -46.02 51.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.219 0.533 . . . . 0.0 109.741 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.71 -37.07 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.941 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.53 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -70.91 -54.12 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.943 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -35.58 81.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.377 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 9.6 tptm -68.16 -47.55 67.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.671 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.88 -52.29 45.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.267 0.556 . . . . 0.0 109.551 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 63' ' ' ARG . 4.4 mm? -55.96 -32.78 64.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.403 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -50.3 31.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.41 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -62.91 -33.43 75.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.99 179.408 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.464 HD12 HD11 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -63.61 -50.44 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.094 179.288 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -46.01 91.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.733 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -64.36 -38.48 91.2 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.373 -179.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB3' HD11 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -69.38 -41.53 76.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.712 0.291 . . . . 0.0 110.218 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.496 HD12 HD11 ' A' ' 49' ' ' ILE . 61.2 mt -60.37 -42.89 96.72 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -64.73 -35.49 81.24 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.9 m -68.81 -41.11 79.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.226 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -76.64 -37.81 55.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.263 0.554 . . . . 0.0 110.012 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.41 61.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.81 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.483 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -59.06 -57.5 26.65 Favored Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.361 -178.606 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -59.99 -31.3 93.35 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.034 1.823 . . . . 0.0 112.357 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CE2' HG22 ' A' ' 41' ' ' VAL . 1.2 t80 -67.54 -43.05 81.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.928 0.394 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -46.23 83.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.44 75.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.439 . . . . 0.0 110.018 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -61.96 -44.33 96.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.004 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 37' ' ' MET . 4.4 t80 -67.22 -38.17 84.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.57 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -61.57 -51.09 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.712 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.35 -37.1 86.3 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.308 0.575 . . . . 0.0 110.153 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -63.71 -40.78 97.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.581 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 34' ' ' GLU . 8.2 tp -74.3 -35.74 63.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.186 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 13.8 mmtp -68.48 -27.33 66.06 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.473 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.183 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.81 -44.8 74.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.216 0.531 . . . . 0.0 111.072 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.659 ' HA ' HD12 ' A' ' 10' ' ' LEU . 25.3 p30 -72.17 -34.19 68.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.351 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.487 ' HA ' HG22 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -69.43 -29.5 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.379 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.12 -43.64 56.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.698 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -79.05 -33.91 44.26 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.554 179.162 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.552 ' O ' HD13 ' A' ' 15' ' ' LEU . 4.7 tt -64.62 -52.04 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.558 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.507 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 74.2 p -66.67 -36.95 83.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.535 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.651 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . -65.63 -46.07 80.67 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.65 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -69.15 -31.85 72.29 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.504 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD21 ' HB3' ' A' ' 73' ' ' GLU . 5.1 mp -73.88 -40.32 63.29 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.799 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.802 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -63.47 -53.11 57.3 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 2.2 tp10 -57.8 -41.62 82.53 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.016 0.436 . . . . 0.0 109.92 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.778 ' CE2' HD13 ' A' ' 22' ' ' LEU . 33.5 t80 -57.97 -45.16 87.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.353 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 57.6 p -66.2 -39.17 89.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.714 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -66.72 -38.96 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.211 0.529 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.964 HD13 ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -76.95 -41.23 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.575 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.964 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -72.57 -42.29 64.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 19' ' ' SER . 1.4 t-20 -69.64 -28.68 66.1 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.19 6.32 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 1.4 mp0 -70.98 146.88 49.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.0 m -84.99 127.11 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.322 . . . . 0.0 111.834 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' ' CD2' ' A' ' 85' ' ' TYR . 19.2 m-85 -132.2 85.42 2.24 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.306 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -141.23 -55.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.295 0.569 . . . . 0.0 109.54 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.535 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -126.17 110.16 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.418 178.487 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.16 142.65 49.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.904 0.859 . . . . 0.0 113.21 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.783 HD22 ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -174.91 -28.34 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.293 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.783 ' N ' HD22 ' A' ' 31' ' ' LEU . 7.6 p -55.17 -18.6 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 1.1 t 85.55 154.94 0.08 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.953 0.406 . . . . 0.0 110.709 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.789 ' O ' HG23 ' A' ' 38' ' ' VAL . 27.8 tt0 -72.55 -47.14 50.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.517 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -34.47 75.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.719 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.84 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -63.31 -56.21 18.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 110.451 179.802 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.552 ' HG3' ' CE2' ' A' ' 85' ' ' TYR . 1.1 tmt? -60.25 -44.45 95.24 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 34' ' ' GLU . 75.8 t -56.52 -44.39 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.389 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.4 m -66.55 -29.66 69.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.504 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 36' ' ' ASP . 60.1 t -65.36 -52.21 54.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.207 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.2 t -66.0 -35.83 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.608 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -43.04 85.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.497 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.513 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 3.6 p30 -68.98 -40.07 79.04 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.096 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.677 ' CZ2' HD21 ' A' ' 21' ' ' LEU . 48.8 m0 -62.71 -48.76 77.84 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.01 0.433 . . . . 0.0 110.369 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.569 ' HG3' HD13 ' A' ' 74' ' ' LEU . 21.1 ttm -59.62 -43.11 93.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.653 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.407 ' O ' HG22 ' A' ' 49' ' ' ILE . 3.3 m-80 -66.85 -40.53 87.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.86 0.362 . . . . 0.0 110.66 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -66.87 -44.85 79.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.261 0.553 . . . . 0.0 109.72 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -64.14 -49.27 72.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.536 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.001 HD12 HD23 ' A' ' 70' ' ' LEU . 1.1 tp -60.64 -43.71 95.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.974 0.416 . . . . 0.0 110.722 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.424 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 8.1 m120 -66.28 -26.4 67.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -79.66 -40.21 29.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 111.435 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CD2' HD11 ' A' ' 70' ' ' LEU . 11.3 m-85 -80.74 -29.97 36.25 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.797 ' HB3' HD11 ' A' ' 67' ' ' LEU . 4.3 ptm85 -59.92 -36.88 77.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.163 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -78.9 0.13 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.639 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.54 28.9 8.38 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.14 0.495 . . . . 0.0 110.232 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 53' ' ' ARG . 16.8 t -91.68 -90.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.845 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.61 ' O ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER 40.51 116.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 179.403 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 148.43 -8.33 1.02 Allowed Glycine 0 CA--C 1.523 0.551 0 C-N-CA 120.05 -1.072 . . . . 0.0 113.283 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.501 ' CG ' ' HB2' ' A' ' 62' ' ' GLU . 4.5 pt-20 149.42 144.0 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 123.219 0.607 . . . . 0.0 110.979 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.62 -37.03 98.29 Favored 'Trans proline' 0 CA--C 1.514 -0.524 0 C-N-CA 122.342 2.028 . . . . 0.0 110.627 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.571 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -63.78 -29.95 71.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.413 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.501 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -71.74 -45.2 62.47 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.023 178.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.733 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -66.14 -54.99 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.101 179.433 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -57.42 -42.15 81.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.978 -179.121 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -77.24 -43.01 35.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.0 111.678 -179.543 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -64.97 -42.71 94.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.929 0.395 . . . . 0.0 111.234 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 53' ' ' ARG . 4.3 mm? -76.43 -35.4 58.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 2.2 tp-100 -71.42 -41.9 68.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.378 . . . . 0.0 110.101 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 2.8 tp10 -66.06 -40.61 91.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.69 179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.001 HD23 HD12 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -62.26 -51.55 67.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.091 179.097 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -60.69 -32.75 71.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.526 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 76' ' ' THR . 4.0 tp-100 -69.41 -46.73 66.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.255 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.723 ' HB3' HD21 ' A' ' 15' ' ' LEU . 5.4 mm-40 -61.21 -44.49 97.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.236 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.569 HD13 ' HG3' ' A' ' 45' ' ' MET . 12.1 mt -63.94 -45.3 89.81 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.238 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -62.57 -36.13 81.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.967 0.413 . . . . 0.0 110.016 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 72' ' ' GLN . 22.9 p -72.21 -34.05 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.46 -40.87 28.81 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.125 0.488 . . . . 0.0 110.226 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.61 -15.06 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.544 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.454 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -59.0 -64.2 3.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.629 -178.755 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 79' ' ' ASN . 53.8 Cg_endo -68.66 -19.82 41.28 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.225 1.95 . . . . 0.0 112.113 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.77 ' CG ' HD21 ' A' ' 22' ' ' LEU . 7.1 t80 -73.99 -50.6 19.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.526 HD11 HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -62.15 -38.47 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.057 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.21 -43.67 77.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.504 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -42.91 88.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.738 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.783 ' OH ' HG11 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -72.69 -48.92 35.05 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.259 -179.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HA ' HD21 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -58.55 -41.65 86.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.969 0.414 . . . . 0.0 110.642 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 91' ' ' SER . 0.7 OUTLIER -71.87 -32.55 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.176 179.456 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 2.0 t80 -71.12 -42.96 68.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 86' ' ' ARG . 2.7 pp -74.26 -35.14 63.78 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 -14.43 34.52 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 9.0 t . . . . . 0 C--N 1.33 -0.249 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.288 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.67 -30.65 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.446 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 23.2 p-10 -66.82 -46.61 74.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.112 0.482 . . . . 0.0 109.972 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 4.4 ttmm -67.22 -36.6 82.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.862 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.44 -37.3 83.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.677 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.543 HD11 ' CE1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -67.2 -45.58 76.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.497 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.642 HD11 ' HB1' ' A' ' 66' ' ' ALA . 30.7 mm -62.6 -51.33 73.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.738 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -40.26 90.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.687 0.28 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.87 95.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 110.181 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.28 91.38 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.242 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.816 HD21 ' CD ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -66.9 -39.51 87.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.565 179.327 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.753 ' O ' HG23 ' A' ' 20' ' ' VAL . 15.0 tttp -70.67 -53.08 17.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.91 -40.73 63.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.21 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CZ ' HD22 ' A' ' 74' ' ' LEU . 5.7 t80 -64.23 -47.79 78.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.784 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 p -55.25 -39.87 70.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.821 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.6 t -70.68 -35.68 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.246 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.487 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 22.9 tp -60.61 -49.28 78.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.364 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.747 HD22 ' CD2' ' A' ' 81' ' ' PHE . 14.7 mt -69.83 -40.74 75.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.644 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.4 -40.38 89.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.716 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.538 HE21 HG12 ' A' ' 20' ' ' VAL . 3.3 pt20 -78.0 27.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.78 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 8.5 tp60 -89.75 156.13 18.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 110.305 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.0 t -63.38 112.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 70.4 m-85 -140.06 85.3 2.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.222 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.45 ' N ' ' CE2' ' A' ' 88' ' ' PHE . 5.2 m-80 -156.82 -62.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.05 0.452 . . . . 0.0 110.673 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.486 ' O ' HD23 ' A' ' 31' ' ' LEU . 12.3 t70 -126.27 99.55 5.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.238 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . . . -70.98 100.79 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.095 0.95 . . . . 0.0 112.727 -176.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.517 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.4 pt? -130.75 37.55 3.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.145 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.498 HG22 ' N ' ' A' ' 33' ' ' SER . 7.2 p -142.61 158.52 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.498 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -65.32 151.74 45.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.771 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.718 ' O ' HG23 ' A' ' 38' ' ' VAL . 6.6 tp10 -74.03 -47.03 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -60.38 -28.99 68.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.349 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.861 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -61.27 -56.36 21.37 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.71 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.516 ' O ' HG23 ' A' ' 41' ' ' VAL . 13.9 tmm? -58.26 -46.59 85.7 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 34' ' ' GLU . 60.6 t -56.56 -44.69 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.273 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.8 m -63.22 -38.01 89.5 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.161 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 36' ' ' ASP . 21.5 t -60.65 -41.04 86.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.011 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.549 HG22 ' CE2' ' A' ' 81' ' ' PHE . 27.1 t -65.89 -51.75 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.55 -42.7 97.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.577 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.58 -48.15 76.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.487 ' CZ3' HD11 ' A' ' 21' ' ' LEU . 17.7 m0 -59.83 -49.11 78.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.007 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.491 ' O ' HD12 ' A' ' 49' ' ' ILE . 26.6 ttp -56.67 -49.0 76.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 111.225 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -60.41 -43.38 96.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.11 -31.8 73.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.263 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -51.69 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.714 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 45' ' ' MET . 2.1 mp -56.23 -42.29 72.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.804 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.74 -39.86 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.943 0.401 . . . . 0.0 110.94 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -72.55 -33.17 66.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.894 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.855 ' CD2' HD21 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -76.63 -42.94 40.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.581 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' A' ' 54' ' ' GLN . 5.1 ptm180 -51.93 -33.91 39.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.736 0.303 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.413 ' HG3' ' NH1' ' A' ' 53' ' ' ARG . 2.0 mt-30 -81.8 -18.88 42.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.316 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -91.76 28.65 1.73 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.475 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG11 ' HG3' ' A' ' 63' ' ' ARG . 6.7 t -111.81 139.48 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.029 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.07 -1.31 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.473 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.64 169.96 45.58 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.342 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 2.3 pt-20 -61.31 162.12 15.45 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 7.5 Cg_endo -49.26 -29.3 16.77 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.858 2.372 . . . . 0.0 112.4 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.29 -45.93 52.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.038 0.446 . . . . 0.0 110.074 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -72.58 -33.45 66.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.489 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.547 ' HG3' HG11 ' A' ' 56' ' ' VAL . 25.8 ttp85 -67.81 -52.5 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.507 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.07 -42.41 96.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -58.92 -47.24 85.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.642 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -71.22 -26.64 63.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.708 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 63' ' ' ARG . 1.6 mm? -74.79 -39.75 61.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.247 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.81 -41.93 77.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.232 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.56 -41.37 96.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.02 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.855 HD21 ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -59.09 -48.33 82.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.306 179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -57.52 -48.39 79.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.669 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 3.0 tp-100 -58.71 -47.82 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 0.0 110.815 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.816 ' CD ' HD21 ' A' ' 15' ' ' LEU . 11.7 mm-40 -64.39 -23.76 67.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.034 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.458 HD22 ' CZ ' ' A' ' 18' ' ' PHE . 61.4 mt -78.57 -46.37 19.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.872 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -67.51 -27.15 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.884 179.135 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.613 HG22 ' HA ' ' A' ' 73' ' ' GLU . 1.7 t -84.67 -27.92 26.76 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.985 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 5.4 mt -86.27 -32.19 21.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 110.094 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.612 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -81.71 -24.65 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.556 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.577 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.15 -48.02 97.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.844 -177.29 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 29.8 Cg_endo -64.76 -29.42 59.44 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 121.537 1.491 . . . . 0.0 111.546 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.747 ' CD2' HD22 ' A' ' 22' ' ' LEU . 1.3 t80 -68.48 -44.58 74.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.157 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.662 ' C ' HD23 ' A' ' 82' ' ' LEU . 6.5 tt -65.57 -43.48 89.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.198 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.56 -31.46 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.945 0.403 . . . . 0.0 110.511 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 11.2 ttmm -67.0 -40.05 87.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.84 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.497 ' CG ' ' HE2' ' A' ' 37' ' ' MET . 1.1 t80 -75.87 -35.07 60.0 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -63.69 -44.64 93.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.421 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 2.1 t70 -68.92 -39.4 79.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.77 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.874 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 62.2 t80 -63.46 -44.86 93.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.987 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 34' ' ' GLU . 6.5 tp -74.43 -35.96 63.41 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -22.44 45.61 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.98 0.419 . . . . 0.0 111.223 -179.703 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 8.2 t . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.831 0.348 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 1' ' ' SER . . . 75.74 -64.94 0.34 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.97 95.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.57 140.92 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.73 -32.13 8.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.303 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.74 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.64 -41.92 78.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.75 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -35.1 77.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.684 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -44.56 82.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.291 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -68.38 -45.73 71.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 69' ' ' GLU . 6.1 tt -63.71 -51.11 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.408 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.494 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 10.0 t -60.83 -40.77 94.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.72 0.295 . . . . 0.0 110.705 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.66 99.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.187 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.81 -37.38 84.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.349 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.82 HD11 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -68.99 -39.67 79.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.744 0.307 . . . . 0.0 110.638 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.753 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -66.46 -53.14 38.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.44 . . . . 0.0 110.445 179.773 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.36 -40.66 71.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.148 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.695 ' CD2' HD23 ' A' ' 74' ' ' LEU . 12.2 t80 -60.72 -49.02 79.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.65 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -56.0 -38.84 71.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.2 t -69.43 -33.75 58.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.34 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.819 HD22 ' CZ3' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -67.48 -47.48 69.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.542 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.76 HD22 ' CD2' ' A' ' 81' ' ' PHE . 12.4 mt -69.68 -36.79 76.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.261 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 4.0 p-10 -75.68 -33.56 60.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.501 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -60.75 11.83 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -178.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 2.3 mp0 -72.02 176.61 4.93 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 122.073 -0.392 . . . . 0.0 109.946 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 26' ' ' VAL . 14.3 p -106.14 50.0 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 91.6 m-85 -63.42 92.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.181 0.515 . . . . 0.0 110.368 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -161.16 -52.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.083 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -126.05 102.22 7.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.765 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.807 ' C ' HD12 ' A' ' 31' ' ' LEU . . . -71.42 108.6 4.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 122.329 1.061 . . . . 0.0 113.534 -175.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.807 HD12 ' C ' ' A' ' 30' ' ' ALA . 6.9 mp -149.39 173.92 13.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 113.164 -1.834 . . . . 0.0 107.112 178.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER 84.25 155.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 118.702 0.683 . . . . 0.0 110.906 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.7 137.37 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.311 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . 25.6 tt0 -67.71 -47.14 70.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.781 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 39' ' ' THR . 0.9 OUTLIER -55.97 -29.31 60.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.934 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -52.72 50.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.0 tpp -61.04 -50.02 75.03 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.64 -44.52 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.959 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 35' ' ' GLU . 20.8 p -61.17 -38.12 85.36 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.285 0.564 . . . . 0.0 110.295 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.546 HG13 ' CZ2' ' A' ' 44' ' ' TRP . 0.9 OUTLIER -62.16 -42.02 93.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.436 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.795 HG22 ' CE2' ' A' ' 81' ' ' PHE . 88.7 t -61.37 -52.99 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.442 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.23 -41.08 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.851 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -45.53 88.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.819 ' CZ3' HD22 ' A' ' 21' ' ' LEU . 40.2 m0 -62.87 -48.63 78.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.402 ' O ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -53.77 -48.82 69.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.278 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -61.89 -42.31 98.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.08 -40.36 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.016 0.436 . . . . 0.0 110.161 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.46 -50.5 58.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.644 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.544 HD11 HD12 ' A' ' 74' ' ' LEU . 34.0 mm -56.82 -49.51 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.948 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.12 -44.69 87.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.229 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -67.21 -49.62 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.097 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.456 ' CE1' HD11 ' A' ' 10' ' ' LEU . 18.7 m-85 -59.49 -38.15 80.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.729 ' HG3' HD21 ' A' ' 67' ' ' LEU . 7.7 ttt85 -54.15 -40.14 67.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.092 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -83.14 -9.0 59.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.588 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -96.76 38.65 1.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.763 0.316 . . . . 0.0 111.066 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.653 HG11 ' HA ' ' A' ' 63' ' ' ARG . 21.5 t -133.58 119.5 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t -108.29 10.65 27.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.539 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.31 175.96 44.79 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.172 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.461 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -66.6 168.94 8.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.882 0.341 . . . . 0.0 110.82 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 9.5 Cg_endo -52.26 -27.91 32.22 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.592 2.194 . . . . 0.0 112.606 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 21.1 mt-30 -73.35 -47.48 41.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.141 0.496 . . . . 0.0 109.76 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -64.47 -38.43 90.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.316 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.653 ' HA ' HG11 ' A' ' 56' ' ' VAL . 25.3 ttm180 -69.1 -50.29 49.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.375 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.15 -45.09 96.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.899 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 1.1 mmmp? -59.26 -47.34 85.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -69.77 -30.26 67.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.49 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.729 HD21 ' HG3' ' A' ' 53' ' ' ARG . 10.7 mt -71.91 -40.32 68.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.781 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -70.97 -39.54 72.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.561 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.583 ' HB3' HD11 ' A' ' 11' ' ' ILE . 2.5 tt0 -68.55 -34.95 76.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.179 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -65.47 -49.07 70.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.891 179.213 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -63.05 -45.99 89.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.38 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.11 -35.0 78.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.951 0.405 . . . . 0.0 110.488 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.82 ' CG ' HD11 ' A' ' 15' ' ' LEU . 6.5 mm-40 -66.91 -38.36 86.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.562 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.695 HD23 ' CD2' ' A' ' 18' ' ' PHE . 25.2 mt -70.51 -36.14 73.59 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.57 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -66.21 -39.66 89.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.982 0.42 . . . . 0.0 110.137 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 73' ' ' GLU . 6.7 t -73.28 -32.35 64.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.535 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.712 HD11 HD23 ' A' ' 15' ' ' LEU . 30.3 mt -84.56 -31.39 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.203 0.525 . . . . 0.0 110.323 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -81.6 -26.86 34.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.271 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.564 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -58.66 -50.76 86.28 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.363 -178.306 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 30.4 Cg_endo -64.08 -33.66 60.92 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 121.744 1.629 . . . . 0.0 111.853 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.795 ' CE2' HG22 ' A' ' 41' ' ' VAL . 2.0 t80 -69.82 -43.48 71.92 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.358 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.8 mt -76.94 -33.42 57.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.637 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.64 56.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.175 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 17.7 ptmt -66.51 -41.89 88.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.049 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -64.9 -45.82 84.33 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.599 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.828 ' O ' HD23 ' A' ' 89' ' ' LEU . 5.4 mmm180 -58.88 -54.63 44.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.277 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.25 -37.96 82.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.173 0.511 . . . . 0.0 109.966 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.617 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 22.0 t80 -62.26 -51.36 68.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.922 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -74.51 -25.83 59.6 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.737 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -89.51 -11.42 42.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.542 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.9 p -82.08 -54.73 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.382 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.483 ' O ' ' CB ' ' A' ' 93' ' ' GLU . 15.6 m80 -60.29 119.4 7.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.124 0.488 . . . . 0.0 112.3 -178.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER 94.73 -10.22 0.11 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.539 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 178.45 106.94 0.15 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 120.517 0.199 . . . . 0.0 111.032 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.9 67.02 0.9 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.531 2.154 . . . . 0.0 112.337 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 t -91.3 98.82 11.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.625 ' CG ' ' HD3' ' A' ' 98' ' ' PRO . 8.7 p80 166.77 -35.44 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.225 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.625 ' HD3' ' CG ' ' A' ' 97' ' ' HIS . 19.5 Cg_endo -91.77 172.46 2.66 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.512 2.141 . . . . 0.0 112.268 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.491 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.6 Cg_endo -41.48 -57.48 1.42 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.088 2.525 . . . . 0.0 112.931 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 99' ' ' PRO . 11.7 Cg_endo -55.34 86.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.49 2.126 . . . . 0.0 112.414 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.8 -78.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.943 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.836 0.35 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.3 25.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.459 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 3' ' ' LEU . 1.8 pp -39.24 97.11 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.515 HD13 ' OE2' ' A' ' 62' ' ' GLU . 3.1 mp -88.36 146.79 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.434 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -48.62 -35.68 14.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.752 0.311 . . . . 0.0 111.287 -179.428 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' N ' ' HG2' ' A' ' 5' ' ' LYS . . . -51.6 -39.27 57.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.104 0.478 . . . . 0.0 110.801 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -71.12 -45.67 63.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.655 ' HA ' HD12 ' A' ' 11' ' ' ILE . 3.0 mttt -60.77 -37.15 80.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.534 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.6 -45.99 81.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.973 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -46.2 90.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.726 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.739 HD11 ' OE2' ' A' ' 69' ' ' GLU . 5.5 mt -62.87 -51.13 75.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.731 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.81 -41.14 90.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.64 0.257 . . . . 0.0 111.147 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.25 -45.5 87.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.466 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.68 -39.22 93.67 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.517 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD11 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -69.18 -39.83 78.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.541 0.21 . . . . 0.0 110.948 179.513 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.851 ' O ' HG23 ' A' ' 20' ' ' VAL . 7.1 tttt -61.34 -53.25 59.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.643 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.87 -38.57 82.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.379 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CD2' HD11 ' A' ' 22' ' ' LEU . 6.4 t80 -62.14 -46.79 87.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.18 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.8 p -61.68 -41.32 97.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.171 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.4 t -64.95 -32.96 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.208 0.528 . . . . 0.0 109.831 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.742 HD21 ' CE3' ' A' ' 44' ' ' TRP . 13.1 tp -66.49 -45.41 79.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.23 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' CD2' ' A' ' 81' ' ' PHE . 10.1 mt -71.55 -45.84 61.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.74 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -61.03 -41.59 96.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.657 0.265 . . . . 0.0 111.694 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -74.02 4.24 5.75 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 7.3 mm100 -66.29 176.6 1.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.53 117.5 46.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 0.0 111.785 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 45.9 m-85 -139.52 85.82 2.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -153.06 -57.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.11 0.481 . . . . 0.0 109.95 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.24 99.8 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.06 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . . . -72.11 102.93 3.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.62 0.724 . . . . 0.0 112.215 -177.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -111.27 -51.68 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.861 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.499 HG22 ' N ' ' A' ' 33' ' ' SER . 11.4 p -61.64 159.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.259 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.499 ' N ' HG22 ' A' ' 32' ' ' VAL . 37.7 m -74.05 163.05 28.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.803 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.9 pt-20 -74.5 -40.29 61.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.14 -33.75 71.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.892 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -63.31 -56.16 18.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.598 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.494 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -58.27 -48.1 81.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.541 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 34' ' ' GLU . 91.4 t -56.28 -44.67 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.0 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.1 m -63.26 -33.58 75.81 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.168 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 36' ' ' ASP . 24.9 t -67.01 -46.69 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.939 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.678 HG22 ' CE2' ' A' ' 81' ' ' PHE . 47.4 t -59.46 -54.93 27.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.997 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -38.97 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 0.0 110.674 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -58.98 -43.99 91.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.791 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.742 ' CE3' HD21 ' A' ' 21' ' ' LEU . 37.6 m0 -67.01 -49.02 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.732 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -48.99 72.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.403 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -41.88 94.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.703 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.44 -33.36 75.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.273 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.51 -51.67 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.0 mm -58.1 -51.4 71.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.774 0.321 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -39.91 83.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.335 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -69.95 -49.52 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.222 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CE2' HD21 ' A' ' 70' ' ' LEU . 2.3 m-85 -62.21 -32.58 73.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.558 ' O ' HG23 ' A' ' 56' ' ' VAL . 6.2 ttp85 -58.91 -42.86 90.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.727 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -75.41 -22.72 57.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -89.95 43.45 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.794 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 53' ' ' ARG . 23.6 t -114.81 139.14 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.796 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 t -127.24 -7.97 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.68 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.77 176.91 44.72 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.71 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 1.3 pm0 -69.11 166.59 27.19 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-O 120.638 0.256 . . . . 0.0 111.368 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 2.7 Cg_endo -44.96 -32.95 6.96 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.057 2.505 . . . . 0.0 112.591 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -73.17 -41.67 63.63 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.515 ' OE2' HD13 ' A' ' 4' ' ' LEU . 3.5 tt0 -69.0 -39.22 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.792 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.54 ' CB ' HG11 ' A' ' 56' ' ' VAL . 25.7 ttm180 -66.75 -52.0 49.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.261 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.81 -39.42 88.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -46.99 87.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.542 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -69.16 -32.6 72.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 53' ' ' ARG . 3.5 mm? -76.19 -31.55 58.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -77.69 -39.97 43.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.657 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.739 ' OE2' HD11 ' A' ' 11' ' ' ILE . 10.6 pt-20 -71.81 -33.49 68.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -66.94 -50.23 63.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.948 178.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 68' ' ' GLN . 8.0 ptm180 -60.11 -44.69 94.66 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.962 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 50.7 tt0 -59.3 -50.36 74.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.836 ' CG ' HD11 ' A' ' 15' ' ' LEU . 61.3 mm-40 -58.8 -36.22 74.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -63.42 -45.8 89.27 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.68 -33.06 75.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 109.849 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 m -76.51 -33.1 58.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.475 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.44 HD11 ' HG ' ' A' ' 15' ' ' LEU . 45.3 mt -83.74 -33.19 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.193 0.52 . . . . 0.0 110.366 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.53 -25.17 36.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.335 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.538 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -58.65 -50.92 85.4 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.265 -178.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 40.9 Cg_endo -68.3 -31.63 28.12 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 121.881 1.72 . . . . 0.0 112.166 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.678 ' CE2' HG22 ' A' ' 41' ' ' VAL . 3.0 t80 -73.1 -46.0 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.422 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.473 HD23 HG11 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -67.95 -41.42 82.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.556 -179.456 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.77 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 110.528 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -36.6 84.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.494 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 6.7 t80 -72.71 -44.95 61.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.132 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -44.05 84.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.19 0.519 . . . . 0.0 109.744 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.35 -36.76 83.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.533 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.704 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 22.2 t80 -63.38 -47.57 81.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.604 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.591 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 7.6 tp -73.98 -29.94 62.24 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.62 0.248 . . . . 0.0 111.591 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -17.5 44.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.706 0.289 . . . . 0.0 110.959 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 t -69.09 -53.85 18.09 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.81 111.32 1.41 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.995 0.902 . . . . 0.0 112.657 -176.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -47.36 -43.95 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 113.754 -1.566 . . . . 0.0 113.833 -178.293 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.36 73.22 0.3 Allowed Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 93' ' ' GLU . 76.4 Cg_endo -83.48 -39.45 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.445 2.097 . . . . 0.0 111.982 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 p -84.45 6.66 22.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.115 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.406 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 17.1 m80 60.99 53.51 2.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.737 0.304 . . . . 0.0 111.088 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.51 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 2.1 Cg_endo -42.69 -56.33 2.2 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.208 2.606 . . . . 0.0 112.978 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 98' ' ' PRO . 14.1 Cg_endo -57.09 121.7 10.53 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.487 2.125 . . . . 0.0 112.546 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.32 -165.96 0.38 Allowed 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -158.57 165.05 35.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.91 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.9 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.901 0.382 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.46 82.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.057 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -162.81 119.44 1.91 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.732 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mm? -121.67 130.78 53.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.047 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HA ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.81 -25.71 2.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.37 90.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.009 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -77.05 -46.72 22.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.443 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.23 -35.08 79.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.019 0.438 . . . . 0.0 110.325 179.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.08 -44.94 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.961 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -42.57 98.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.594 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.467 HG22 HD13 ' A' ' 15' ' ' LEU . 57.1 mt -70.24 -51.88 34.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.713 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -65.67 -40.26 92.2 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 122.295 -0.253 . . . . 0.0 111.225 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.5 95.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.292 0.568 . . . . 0.0 109.611 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -70.19 -37.59 72.04 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.264 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD21 ' HG2' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -70.25 -39.76 74.81 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.675 0.274 . . . . 0.0 110.442 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.884 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -61.03 -53.25 59.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.332 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.4 -36.5 80.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.03 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.761 ' CE2' HD11 ' A' ' 22' ' ' LEU . 25.1 t80 -69.67 -34.55 74.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.348 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 1.2 m -74.19 -44.67 52.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.622 0.248 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.7 t -66.66 -33.45 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.324 0.583 . . . . 0.0 109.581 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.907 HD11 ' CH2' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -71.44 -44.76 64.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.036 179.223 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' A' ' 18' ' ' PHE . 12.5 mt -70.71 -36.26 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 19' ' ' SER . 4.7 m-80 -77.58 -10.22 59.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.257 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 45.17 0.99 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.962 0.411 . . . . 0.0 111.94 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' CB ' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -119.52 131.2 55.51 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.024 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.522 ' HB ' ' OD1' ' A' ' 29' ' ' ASP . 27.1 m -72.6 52.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -178.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CE2' ' CB ' ' A' ' 25' ' ' GLN . 69.0 m-85 -61.93 86.08 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.528 0.68 . . . . 0.0 110.549 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' VAL . 2.0 t30 178.63 -20.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.209 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.522 ' OD1' ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -98.62 97.91 9.13 Favored 'General case' 0 CA--C 1.527 0.074 0 CA-C-O 121.439 0.638 . . . . 0.0 112.255 -179.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.784 ' HB2' ' CG ' ' A' ' 92' ' ' HIS . . . -70.42 86.87 0.62 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.163 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -173.86 148.23 1.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 113.129 -1.85 . . . . 0.0 108.872 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER 100.33 170.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 122.966 0.507 . . . . 0.0 111.228 -179.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.531 ' H ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -90.68 140.47 29.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.276 -179.762 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.76 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.4 pp20? -74.62 -40.56 61.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.255 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -53.94 -36.38 62.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.224 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.797 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -58.34 -56.16 25.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.471 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -43.79 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 34' ' ' GLU . 87.4 t -56.27 -45.45 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.232 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -35.75 81.64 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.371 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 36' ' ' ASP . 24.4 t -58.94 -48.01 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.219 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.12 -42.51 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.999 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.74 -42.9 97.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.62 -47.29 81.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.671 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.907 ' CH2' HD11 ' A' ' 21' ' ' LEU . 25.7 m0 -58.9 -48.94 79.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 34.2 ttm -56.88 -48.79 77.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.505 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 49' ' ' ILE . 39.5 m-80 -64.78 -41.56 95.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.928 0.394 . . . . 0.0 110.393 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.481 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -72.66 -47.83 44.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 70' ' ' LEU . 4.4 tp -58.6 -49.21 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.961 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.491 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 2.3 t30 -63.15 -46.22 88.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.386 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -67.5 -28.51 67.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.247 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.16 -38.93 21.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.577 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.804 ' HA ' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.94 -35.49 69.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.642 0.258 . . . . 0.0 110.845 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -80.43 -32.73 37.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.939 0.4 . . . . 0.0 110.502 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -72.42 48.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.586 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.792 HG11 ' HA ' ' A' ' 63' ' ' ARG . 3.2 t -147.87 89.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.24 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.1 p -93.17 25.41 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.544 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.68 -174.52 32.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.188 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -56.17 167.53 0.89 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.655 0.264 . . . . 0.0 110.874 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 36.4 Cg_endo -65.12 -30.15 55.85 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.481 2.121 . . . . 0.0 112.456 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -71.62 -47.51 54.11 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -40.29 85.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.943 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.792 ' HA ' HG11 ' A' ' 56' ' ' VAL . 6.8 ptp180 -74.44 -52.16 12.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.673 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -57.79 -42.21 83.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.42 -40.52 73.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.981 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.93 88.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.024 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.804 HD21 ' HA ' ' A' ' 53' ' ' ARG . 14.0 mt -67.89 -39.02 83.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -66.2 -50.34 64.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -62.5 -33.41 74.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.238 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 49' ' ' ILE . 2.1 tp -66.8 -51.92 50.04 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -57.27 -42.54 81.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -61.99 -50.41 72.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.397 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.537 ' HG2' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -55.43 -51.14 67.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.336 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.51 -48.09 77.94 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.94 -28.45 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.784 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.473 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 7.4 m -72.95 -54.37 8.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.428 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 8.6 mt -57.62 -46.38 84.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.97 -22.88 65.0 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.469 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.03 -55.55 44.02 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 76' ' ' THR . 35.2 Cg_endo -64.44 -19.49 65.34 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 121.873 1.716 . . . . 0.0 112.053 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 1.2 t80 -73.87 -44.9 53.97 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.244 0.545 . . . . 0.0 111.562 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 82' ' ' LEU . 2.1 mm? -77.11 -32.25 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.82 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.27 51.23 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.014 0.435 . . . . 0.0 110.179 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 0.4 OUTLIER -67.05 -40.45 87.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.235 179.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -43.13 71.95 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.907 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -57.59 -46.34 84.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.205 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -39.33 94.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.874 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -62.34 -48.66 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.607 179.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -74.44 -34.57 63.24 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -179.249 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -77.33 -23.25 50.97 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t -90.8 -48.68 6.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 0.0 111.064 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.784 ' CG ' ' HB2' ' A' ' 30' ' ' ALA . 4.2 m170 -61.05 129.51 41.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.422 0.63 . . . . 0.0 112.48 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -102.48 141.39 35.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.053 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.9 mt -153.17 85.84 4.17 Favored Pre-proline 0 CA--C 1.529 0.169 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -82.96 157.55 15.49 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.646 2.231 . . . . 0.0 110.612 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.5 p -76.22 153.28 36.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.949 0.404 . . . . 0.0 111.504 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 0.1 OUTLIER 172.46 102.99 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.447 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 97' ' ' HIS . 0.9 OUTLIER -44.03 101.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.864 2.376 . . . . 0.0 112.662 -179.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.539 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 27.4 Cg_endo -69.17 -30.61 24.71 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.376 2.051 . . . . 0.0 114.235 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 99' ' ' PRO . 80.1 Cg_endo -84.11 24.85 0.72 Allowed 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.959 1.773 . . . . 0.0 113.174 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.64 131.56 44.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.873 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.78 0.324 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 3' ' ' LEU . . . -119.62 145.7 46.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 2.7 pp 156.65 -8.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.956 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER 72.58 71.35 0.14 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.857 0.36 . . . . 0.0 110.69 -179.562 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.37 -25.83 2.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.55 -32.4 18.41 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.781 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 25.7 p30 -75.93 -30.97 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 110.035 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 11' ' ' ILE . 6.6 tttt -77.49 -31.8 53.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.366 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.12 -36.92 64.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.709 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.862 HD21 ' CD1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -69.96 -44.64 69.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 179.347 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.488 HD12 ' OE2' ' A' ' 69' ' ' GLU . 5.0 tt -62.7 -50.16 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.639 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.484 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 1.2 m -66.67 -38.16 86.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.548 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.64 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 110.545 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.02 -36.62 60.65 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.334 178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.849 HD21 ' HG2' ' A' ' 73' ' ' GLU . 1.4 mp -70.13 -39.19 75.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.626 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.771 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.0 tttp -65.64 -53.12 45.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.994 0.426 . . . . 0.0 110.516 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.9 -38.39 78.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.437 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.876 ' CE2' HD11 ' A' ' 22' ' ' LEU . 13.4 t80 -68.79 -40.99 79.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.212 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -38.73 90.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 16' ' ' LYS . 3.5 t -72.32 -41.16 65.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.232 0.539 . . . . 0.0 109.953 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD21 ' CE3' ' A' ' 44' ' ' TRP . 11.4 tp -55.96 -48.32 76.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.651 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.876 HD11 ' CE2' ' A' ' 18' ' ' PHE . 59.7 mt -71.55 -35.64 70.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.407 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -82.66 0.23 44.13 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -93.15 28.53 2.13 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.365 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.596 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 14.9 mm100 -93.19 176.67 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.21 50.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 37.0 m-85 -62.5 105.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.45 0.643 . . . . 0.0 110.404 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t30 179.64 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.702 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.536 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -126.24 92.96 3.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.925 178.813 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.794 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -72.61 108.54 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -176.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.985 HD22 ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -124.31 -50.64 1.77 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.012 179.072 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.985 ' N ' HD22 ' A' ' 31' ' ' LEU . 14.9 p -67.31 149.02 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.96 0.41 . . . . 0.0 111.521 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.18 150.26 39.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.829 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -74.68 -34.74 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.02 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -59.41 -38.92 81.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.562 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.909 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.2 t70 -60.01 -55.61 31.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.233 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.477 ' CG ' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.96 -44.19 86.89 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 34' ' ' GLU . 74.6 t -56.52 -44.88 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.109 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m -68.28 -31.82 71.53 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.508 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 36' ' ' ASP . 37.7 t -63.87 -51.74 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 42.4 t -62.56 -41.49 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.748 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 45' ' ' MET . 0.3 OUTLIER -64.17 -41.89 96.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -42.99 98.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.151 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CZ2' ' CG1' ' A' ' 40' ' ' VAL . 43.5 m0 -67.35 -49.06 65.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.194 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -59.03 -37.39 76.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.21 -43.61 70.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.534 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.0 -34.35 78.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.058 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -50.76 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.62 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.587 HD11 HD12 ' A' ' 74' ' ' LEU . 34.1 mm -57.71 -48.3 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -62.94 -32.89 74.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.397 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -81.4 -31.88 33.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.614 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.862 ' CD1' HD21 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -75.23 -39.75 59.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.339 -179.539 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.689 ' HB3' HD21 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -49.34 -32.32 11.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.216 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -8.0 56.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.936 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -96.61 12.34 32.04 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.556 0.217 . . . . 0.0 111.47 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.762 HG12 ' H ' ' A' ' 58' ' ' GLY . 35.0 t -94.96 -83.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 1.9 m 90.64 7.62 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.718 0.407 . . . . 0.0 111.599 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.762 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -92.02 -177.94 42.02 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.37 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -64.71 169.35 5.34 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 117.367 0.584 . . . . 0.0 110.615 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 9.8 Cg_endo -51.83 -27.84 28.73 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.477 2.118 . . . . 0.0 112.308 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 24.5 pt20 -73.07 -42.79 62.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -45.44 91.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.323 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -68.53 -49.72 57.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.8 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.92 -52.04 65.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.453 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -56.88 -47.43 80.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.436 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HA ' ' HG2' ' A' ' 69' ' ' GLU . . . -64.72 -51.32 63.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.444 0.64 . . . . 0.0 109.693 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 53' ' ' ARG . 15.6 mt -54.55 -33.81 60.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.71 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -72.47 -50.35 26.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE2' HD12 ' A' ' 11' ' ' ILE . 22.0 pt-20 -64.74 -29.87 70.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.259 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.52 -50.27 59.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.243 179.275 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -62.54 -44.24 96.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.767 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.15 -42.55 99.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.708 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.849 ' HG2' HD21 ' A' ' 15' ' ' LEU . 26.6 mt-10 -62.9 -42.24 99.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.044 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.587 HD12 HD11 ' A' ' 49' ' ' ILE . 13.8 mt -64.7 -38.09 89.81 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.828 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ASN . 8.1 m-80 -64.94 -49.44 70.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.975 0.417 . . . . 0.0 110.221 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 73' ' ' GLU . 5.2 t -60.4 -34.61 74.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.514 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.68 -43.34 22.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.529 0.68 . . . . 0.0 109.694 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -68.9 -27.01 65.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.334 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.476 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -58.43 -56.85 31.11 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.738 -177.567 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 19.6 Cg_endo -59.18 -31.75 95.88 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 121.701 1.6 . . . . 0.0 111.932 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.636 ' HD2' HD22 ' A' ' 22' ' ' LEU . 1.1 t80 -74.17 -50.66 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.425 0.631 . . . . 0.0 110.907 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 82' ' ' LEU . 7.3 tt -68.7 -40.49 80.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.241 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.14 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -69.82 -39.98 76.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.664 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CE2' ' CG ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -68.8 -39.41 80.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.917 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' HG3' HD23 ' A' ' 82' ' ' LEU . 4.5 mmm180 -64.0 -53.05 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -33.54 64.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.25 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.794 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -63.98 -51.82 62.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.71 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 5.6 mt -74.43 -27.84 60.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.107 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -13.29 43.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.7 0.286 . . . . 0.0 111.549 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.0 t -111.37 -52.82 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 111.205 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -69.51 112.6 6.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.178 0.513 . . . . 0.0 112.326 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.417 ' CB ' ' HD3' ' A' ' 95' ' ' PRO . 0.8 OUTLIER -74.31 156.99 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.077 178.415 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.755 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -122.09 43.22 0.67 Allowed Pre-proline 0 CA--C 1.532 0.287 0 O-C-N 122.11 -0.369 . . . . 0.0 111.955 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 94' ' ' LEU . 88.0 Cg_endo -78.63 -16.03 13.39 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.297 1.998 . . . . 0.0 112.398 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.9 73.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -129.68 163.24 48.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.18 119.06 5.92 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.614 2.209 . . . . 0.0 112.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.34 161.85 41.74 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.446 2.097 . . . . 0.0 112.271 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.32 143.77 39.91 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.509 2.139 . . . . 0.0 112.338 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 p -170.15 87.58 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.2 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.95 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.756 0.312 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -91.92 -4.28 54.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.594 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.563 HD22 ' HD3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -29.91 88.34 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.937 0.495 . . . . 0.0 112.257 -179.468 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.602 HD13 ' HG3' ' A' ' 62' ' ' GLU . 0.7 OUTLIER 45.37 104.56 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.0 0.429 . . . . 0.0 111.768 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -48.92 -27.34 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.431 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.62 -42.64 71.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.629 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -68.8 -32.32 71.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.373 . . . . 0.0 110.58 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -35.58 60.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.526 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -64.9 -47.87 76.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.384 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -66.19 -43.83 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.401 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.942 HD13 HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -61.21 -51.15 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.211 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 11' ' ' ILE . 3.9 m -59.82 -42.62 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.61 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.92 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.324 . . . . 0.0 110.699 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.71 -35.15 85.12 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.517 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.613 HD11 ' CB ' ' A' ' 73' ' ' GLU . 2.1 mp -71.27 -39.75 71.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.645 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.869 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.3 tttt -61.88 -53.17 59.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -59.72 -40.64 88.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.555 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.748 ' CE1' HD11 ' A' ' 22' ' ' LEU . 21.2 t80 -61.91 -48.99 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 p -59.12 -41.06 87.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.603 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -69.34 -37.86 76.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.241 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.985 HD11 ' CH2' ' A' ' 44' ' ' TRP . 1.4 tp -59.69 -47.26 86.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.111 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.748 HD11 ' CE1' ' A' ' 18' ' ' PHE . 14.9 mt -68.33 -36.18 78.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.765 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.564 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 22.2 p30 -80.25 -33.0 38.26 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.564 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 12.8 pt20 -61.51 14.21 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -79.64 176.65 9.51 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 26' ' ' VAL . 13.6 p -101.99 50.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.527 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 45.1 m-85 -62.82 90.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.475 0.655 . . . . 0.0 110.688 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -156.96 -57.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.611 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.559 ' HB2' HD23 ' A' ' 31' ' ' LEU . 7.4 p-10 -126.39 101.76 6.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.384 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.864 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . . . -72.87 76.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.203 0.525 . . . . 0.0 111.55 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 29' ' ' ASP . 3.6 mm? -113.3 50.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.214 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.646 HG13 ' H ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -144.45 -86.48 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.646 ' H ' HG13 ' A' ' 32' ' ' VAL . 2.1 p 176.9 137.04 0.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.741 0.305 . . . . 0.0 110.687 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.808 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -74.27 -45.88 44.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.428 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -53.87 -41.84 67.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.801 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -58.15 -55.74 31.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.464 179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -57.93 -43.44 86.28 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 34' ' ' GLU . 94.1 t -56.81 -44.68 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.052 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -38.05 89.66 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.105 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 36' ' ' ASP . 8.2 t -61.91 -39.87 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.826 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.831 HG11 HD23 ' A' ' 82' ' ' LEU . 53.4 t -65.3 -50.04 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.73 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -42.77 95.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.709 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -38.77 92.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.985 ' CH2' HD11 ' A' ' 21' ' ' LEU . 22.0 m0 -68.64 -48.5 63.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.81 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 29.7 ttm -58.51 -45.22 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.352 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -67.8 -43.44 79.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.002 0.429 . . . . 0.0 110.483 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -64.44 -33.1 75.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.541 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -71.05 -45.56 63.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.622 HD11 HD12 ' A' ' 74' ' ' LEU . 34.3 mm -60.54 -52.46 61.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.723 0.297 . . . . 0.0 110.785 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.99 -40.63 94.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -67.18 -49.19 65.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.563 ' O ' HG22 ' A' ' 56' ' ' VAL . 12.5 m-85 -59.55 -30.88 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.5 ttp-105 -62.33 -39.64 93.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -6.78 43.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.793 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' CG ' ' HA ' ' A' ' 52' ' ' TYR . 11.9 pt20 -115.9 24.63 11.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.669 0.271 . . . . 0.0 111.495 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.08 HG12 ' NH1' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -114.16 125.85 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.078 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.575 ' N ' HH11 ' A' ' 63' ' ' ARG . 2.0 m -167.55 125.92 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 154.87 -6.92 0.3 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 119.741 -1.218 . . . . 0.0 113.827 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER 157.11 121.18 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 123.098 0.559 . . . . 0.0 109.847 178.148 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 59' ' ' GLU . 5.7 Cg_endo -46.88 -51.09 9.75 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.526 2.151 . . . . 0.0 111.842 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 26.0 tt0 -62.26 -37.08 84.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.602 ' HG3' HD13 ' A' ' 4' ' ' LEU . 3.1 tt0 -71.89 -32.75 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.34 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 1.08 ' NH1' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -74.56 -55.6 5.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.261 0.553 . . . . 0.0 110.54 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.88 -33.45 73.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.522 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.563 ' HD3' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -68.85 -47.15 66.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.32 73.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.169 0.509 . . . . 0.0 110.311 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.001 HD21 HG21 ' A' ' 56' ' ' VAL . 1.8 mm? -72.94 -43.91 61.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.707 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 9.0 pt20 -63.78 -42.5 97.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 110.153 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 3.5 mm-40 -62.76 -41.83 99.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.849 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.942 HD22 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -55.54 -50.99 68.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.323 179.22 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -58.13 -49.14 78.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.764 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 76' ' ' THR . 0.9 OUTLIER -59.26 -50.45 73.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.613 ' CB ' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -55.03 -45.13 75.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.729 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.622 HD12 HD11 ' A' ' 49' ' ' ILE . 57.4 mt -59.26 -44.35 92.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.232 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -64.53 -31.65 72.95 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.173 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.0 p -79.97 -28.86 39.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.382 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 77' ' ' LEU . 24.1 mt -85.91 -33.57 21.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.12 0.486 . . . . 0.0 110.419 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.51 -24.21 36.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.281 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.54 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.81 -50.78 86.16 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.398 -178.359 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 42.5 Cg_endo -68.5 -31.9 26.25 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 121.837 1.691 . . . . 0.0 112.235 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.7 ' CE2' HG22 ' A' ' 41' ' ' VAL . 2.2 t80 -71.1 -44.71 65.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.518 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.831 HD23 HG11 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -71.3 -40.6 70.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.49 -35.44 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 110.2 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 2.5 tttm -65.9 -42.04 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.547 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.46 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 2.3 t80 -68.17 -43.89 77.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.73 0.3 . . . . 0.0 111.19 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -54.47 46.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.904 0.383 . . . . 0.0 110.663 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -38.71 89.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.095 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 6.4 t80 -63.31 -40.37 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.208 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -74.01 -31.13 62.79 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.382 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -85.72 -22.91 27.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 111.658 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.8 t -71.37 -59.45 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 111.728 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.864 ' CE1' ' HB3' ' A' ' 30' ' ' ALA . 20.4 p-80 -59.85 113.49 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.526 0.679 . . . . 0.0 112.248 -177.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 92' ' ' HIS . 0.7 OUTLIER 82.45 167.68 0.12 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.824 -179.539 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 93' ' ' GLU . 0.8 OUTLIER 6.61 67.99 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -93.37 -115.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.073 2.515 . . . . 0.0 111.646 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.6 p -127.85 -26.85 2.87 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.039 -0.413 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.469 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 0.0 OUTLIER -45.23 -61.55 2.25 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.521 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 97' ' ' HIS . 6.8 Cg_endo -49.68 159.59 1.43 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.61 2.207 . . . . 0.0 112.063 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.76 110.4 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.609 2.206 . . . . 0.0 112.511 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -84.61 118.95 2.22 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.612 2.208 . . . . 0.0 112.264 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -88.85 7.59 33.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.343 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.882 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.0 p . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.811 0.338 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.51 -161.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 3' ' ' LEU . 5.9 mt -66.14 118.04 9.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.776 0.322 . . . . 0.0 110.532 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.92 136.28 40.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -29.62 4.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.16 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -41.4 85.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 0.0 110.584 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -76.73 -43.9 35.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.449 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.58 83.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.44 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.81 -48.44 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.968 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -41.84 93.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.671 HD13 HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -68.0 -51.45 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.51 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.477 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 59.0 p -67.99 -39.27 83.28 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.456 -0.153 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -62.71 -35.83 81.0 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.62 -32.38 61.78 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.375 -0.916 . . . . 0.0 110.873 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.815 HD23 HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -74.52 -40.24 61.87 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.493 0.187 . . . . 0.0 111.053 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.897 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -68.48 -44.73 74.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.682 0.277 . . . . 0.0 110.642 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -67.44 -38.79 85.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.022 0.439 . . . . 0.0 110.194 179.382 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.732 ' CE1' HD11 ' A' ' 22' ' ' LEU . 23.4 t80 -73.84 -32.71 63.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -68.97 -44.05 73.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.596 0.236 . . . . 0.0 110.801 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.2 t -68.91 -38.37 78.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.857 HD11 ' CZ2' ' A' ' 44' ' ' TRP . 13.9 tp -56.56 -45.87 81.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.447 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.732 HD11 ' CE1' ' A' ' 18' ' ' PHE . 11.5 mt -78.73 -48.85 14.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -58.51 -17.73 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -85.38 57.84 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 111.395 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.78 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 10.9 mm100 -119.96 176.92 5.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.05 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.891 HG22 ' HB2' ' A' ' 29' ' ' ASP . 8.5 p -111.64 50.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.324 -0.55 . . . . 0.0 112.413 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.78 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 26.4 m-85 -62.75 141.35 58.63 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER 87.31 15.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -176.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.891 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -126.29 159.63 32.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.934 -179.454 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.71 73.32 0.84 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.333 -1.303 . . . . 0.0 113.395 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.797 HD13 HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -162.71 134.24 5.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.462 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER 95.4 139.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.139 0.576 . . . . 0.0 111.135 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -74.1 150.33 40.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.172 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.1 pp20? -74.48 -47.0 35.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.34 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.19 -42.36 73.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.999 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.777 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -59.18 -54.36 47.85 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.969 0.414 . . . . 0.0 110.335 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.469 ' O ' HG23 ' A' ' 41' ' ' VAL . 38.8 tpp -58.05 -44.42 87.43 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.487 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 34' ' ' GLU . 84.9 t -56.41 -45.92 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.776 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -64.63 -35.82 82.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.152 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 36' ' ' ASP . 48.0 t -58.1 -40.7 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-O 121.13 0.491 . . . . 0.0 110.453 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.813 HG22 ' CE2' ' A' ' 81' ' ' PHE . 34.5 t -68.52 -46.31 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.228 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -45.53 86.98 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.973 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 4.3 p30 -67.07 -35.05 78.98 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.046 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.857 ' CZ2' HD11 ' A' ' 21' ' ' LEU . 7.3 m0 -62.21 -49.44 75.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.076 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.603 ' O ' HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.81 -49.16 78.79 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.618 -179.182 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -43.62 98.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.939 0.399 . . . . 0.0 110.49 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.21 -40.26 89.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -70.02 -47.75 60.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.603 HD13 ' O ' ' A' ' 45' ' ' MET . 1.6 mp -57.76 -56.03 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.801 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -49.01 76.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.487 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -61.65 -49.68 75.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.363 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.961 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -65.22 -30.89 71.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.804 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.625 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -56.46 -41.99 77.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.647 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -90.95 -24.08 20.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.448 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -77.89 -19.35 54.92 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 52' ' ' TYR . 94.1 t -54.18 -99.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.264 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.591 ' N ' HG12 ' A' ' 56' ' ' VAL . 6.6 m 100.51 170.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.209 0.604 . . . . 0.0 109.705 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.512 ' H ' HG22 ' A' ' 57' ' ' THR . . . 91.05 -172.83 37.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.096 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.04 164.49 3.36 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 52.7 Cg_endo -68.93 -25.17 32.81 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.523 2.149 . . . . 0.0 112.478 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 46.4 tt0 -73.1 -48.36 36.43 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.05 -42.55 90.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.112 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.678 ' HA ' HG11 ' A' ' 56' ' ' VAL . 9.9 ptp180 -70.77 -50.83 31.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -57.71 -35.3 70.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -73.33 -38.13 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.43 -39.74 70.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.166 0.508 . . . . 0.0 110.37 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.625 HD21 ' CG ' ' A' ' 53' ' ' ARG . 2.8 mp -65.89 -40.7 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.867 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -69.88 -41.86 74.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 2.2 mt-10 -68.51 -26.17 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.709 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 11.2 mt -75.31 -51.28 13.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -57.36 -39.55 76.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.346 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 10.6 pt20 -70.95 -49.66 43.16 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.709 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.74 -50.07 74.46 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.307 179.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.405 ' CD2' ' CE2' ' A' ' 18' ' ' PHE . 16.6 mt -57.14 -45.08 83.87 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.969 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.66 -29.73 70.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.541 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -80.27 -29.76 38.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.415 179.379 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.815 HD11 HD23 ' A' ' 15' ' ' LEU . 18.7 mt -79.01 -45.99 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.26 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.417 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . . . -68.29 -21.33 64.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.505 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.475 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.7 OUTLIER -58.64 -57.61 25.39 Favored Pre-proline 0 C--N 1.331 -0.236 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.321 -178.235 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.487 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 19.7 Cg_endo -60.16 -31.71 93.56 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.132 1.888 . . . . 0.0 112.564 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.813 ' CE2' HG22 ' A' ' 41' ' ' VAL . 1.1 t80 -73.69 -46.93 43.35 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.453 0.644 . . . . 0.0 111.335 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.798 HD23 HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -77.0 -32.45 57.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.746 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.1 -30.31 58.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.249 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -72.34 -46.79 53.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.614 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -35.45 75.03 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.33 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -62.2 -41.66 98.56 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.007 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -40.12 95.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.407 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CZ ' ' O ' ' A' ' 29' ' ' ASP . 1.3 t80 -65.8 -50.06 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.372 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 34' ' ' GLU . 70.1 mt -63.58 -39.62 94.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HD3' ' HD3' ' A' ' 86' ' ' ARG . 3.8 mptt -85.05 -29.13 25.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.991 0.424 . . . . 0.0 110.987 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.12 -25.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' A' ' 89' ' ' LEU . 1.7 p-80 -86.09 116.24 24.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.582 1.083 . . . . 0.0 111.851 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.77 112.4 0.42 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.589 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.2 pp -136.16 82.59 35.33 Favored Pre-proline 0 N--CA 1.463 0.192 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.041 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -90.31 -1.77 5.37 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.995 2.463 . . . . 0.0 113.496 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -147.15 122.85 10.53 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.368 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.587 ' N ' ' HD3' ' A' ' 98' ' ' PRO . 2.3 m170 -173.06 54.98 0.19 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.035 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.587 ' HD3' ' N ' ' A' ' 97' ' ' HIS . 23.0 Cg_exo -65.82 -48.03 3.3 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.742 2.295 . . . . 0.0 114.954 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.575 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 17.8 Cg_endo -67.73 -37.16 16.83 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.316 2.01 . . . . 0.0 114.982 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 99' ' ' PRO . 62.5 Cg_endo -72.05 15.52 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 121.965 1.777 . . . . 0.0 113.46 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.15 74.36 0.98 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.835 0.35 . . . . 0.0 110.789 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.08 109.67 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.829 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -124.01 -62.42 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.829 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 9.5 mt 98.36 92.64 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.14 0.976 . . . . 0.0 110.43 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -25.3 1.35 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.988 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.54 -43.26 89.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.142 0.496 . . . . 0.0 110.362 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -71.32 -46.59 60.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.528 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -60.06 -37.68 80.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.471 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.7 -46.29 79.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.894 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -60.4 -45.39 93.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.943 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 8' ' ' LYS . 12.3 mt -63.85 -51.91 63.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.441 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -62.93 -38.54 91.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.643 0.259 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -61.2 -45.25 95.37 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.1 -29.8 75.66 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.428 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -70.7 -40.22 73.0 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.638 0.256 . . . . 0.0 110.834 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.912 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -71.12 -44.78 64.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.184 -179.294 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.65 -46.59 89.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.272 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.712 ' CE2' HD11 ' A' ' 22' ' ' LEU . 4.8 t80 -59.43 -49.19 78.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.827 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.448 ' OG ' HD22 ' A' ' 77' ' ' LEU . 1.5 m -55.27 -41.19 71.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.518 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.0 t -64.08 -41.31 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.239 0.542 . . . . 0.0 110.066 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.798 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 6.9 tp -66.42 -46.76 75.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.446 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.781 HD22 ' HD2' ' A' ' 81' ' ' PHE . 68.3 mt -65.05 -41.58 95.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.617 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -76.78 -28.35 55.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.439 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.445 HE21 HG12 ' A' ' 20' ' ' VAL . 8.3 mt-30 -62.25 -3.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.5 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 11.0 mm-40 -80.93 149.75 29.27 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.6 t -79.51 127.58 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.835 0.35 . . . . 0.0 111.576 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 25' ' ' GLN . 61.0 m-85 -130.79 85.62 2.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -136.13 -65.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.021 0.439 . . . . 0.0 110.807 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.875 ' O ' HD23 ' A' ' 31' ' ' LEU . 9.3 p-10 -126.09 126.35 44.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.694 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.905 ' HB1' HD13 ' A' ' 89' ' ' LEU . . . -72.47 89.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.397 0.618 . . . . 0.0 112.359 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.875 HD23 ' O ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -103.7 -51.35 3.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.008 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.5 HG22 ' N ' ' A' ' 33' ' ' SER . 12.5 p -71.36 159.78 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.493 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.5 ' N ' HG22 ' A' ' 32' ' ' VAL . 33.7 t -66.67 154.3 40.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.848 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.8 tt0 -74.62 -47.1 34.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.361 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -33.52 58.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.229 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.885 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -61.88 -56.18 22.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.704 0.288 . . . . 0.0 110.537 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.474 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -60.27 -44.31 95.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 34' ' ' GLU . 53.2 t -56.9 -44.53 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.93 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -65.03 -35.23 80.52 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.024 0.44 . . . . 0.0 110.106 179.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 36' ' ' ASP . 38.4 t -61.63 -45.74 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.896 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.748 HG22 ' CE2' ' A' ' 81' ' ' PHE . 47.5 t -64.66 -42.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.672 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -43.03 86.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -48.67 80.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.798 ' CZ3' HD11 ' A' ' 21' ' ' LEU . 48.4 m0 -63.44 -48.46 77.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ttm -56.73 -48.85 76.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.421 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.08 -41.14 99.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.947 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -65.41 -34.25 77.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.814 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -71.59 -46.27 59.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.49 HD13 HD12 ' A' ' 70' ' ' LEU . 37.7 mm -60.8 -51.19 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -61.09 -41.93 97.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -67.11 -44.68 79.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.589 ' CE2' HD21 ' A' ' 70' ' ' LEU . 4.1 m-85 -62.44 -32.4 73.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.9 mtm180 -54.69 -34.58 62.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.458 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -13.75 53.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -91.06 24.01 3.0 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.755 0.312 . . . . 0.0 111.002 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.869 HG11 ' HG3' ' A' ' 63' ' ' ARG . 1.4 t -106.8 -173.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.822 ' H ' HG12 ' A' ' 56' ' ' VAL . 7.6 t 122.28 99.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.46 1.104 . . . . 0.0 110.152 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 178.42 22.72 0.03 OUTLIER Glycine 0 CA--C 1.527 0.825 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.693 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.61 ' HG2' ' H ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER 105.09 147.32 0.01 OUTLIER Pre-proline 0 N--CA 1.467 0.377 0 C-N-CA 124.594 1.157 . . . . 0.0 110.68 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.91 -51.09 7.88 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.999 2.466 . . . . 0.0 112.203 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.484 ' HG3' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -62.6 -30.08 71.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.126 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.658 ' OE1' HD12 ' A' ' 4' ' ' LEU . 9.1 tp10 -73.48 -50.49 21.29 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.525 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.869 ' HG3' HG11 ' A' ' 56' ' ' VAL . 13.7 ttp180 -65.03 -55.72 17.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.925 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -43.12 86.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.922 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 7.0 ttpt -68.26 -34.95 77.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.336 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.32 -41.09 57.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.205 0.526 . . . . 0.0 110.397 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.423 HD21 ' HG2' ' A' ' 53' ' ' ARG . 8.2 mt -70.4 -39.23 74.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.813 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 5.1 pp0? -67.25 -47.09 71.79 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.265 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -61.59 -34.58 75.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.902 179.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.589 HD21 ' CE2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -62.43 -51.83 65.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.48 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -57.42 -40.88 79.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.695 0.283 . . . . 0.0 110.581 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' O ' HG22 ' A' ' 76' ' ' THR . 1.7 mt-30 -64.41 -49.38 71.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.582 ' HG3' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -60.76 -27.06 67.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.51 -179.555 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.582 HD23 ' HG3' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -78.39 -47.97 16.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.124 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.33 -35.38 77.23 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 77' ' ' LEU . 7.8 t -69.97 -52.42 24.5 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' N ' HG23 ' A' ' 76' ' ' THR . 86.5 mt -61.08 -41.25 96.29 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.639 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.95 -16.47 56.92 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 111.718 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -58.76 -57.1 29.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.234 -177.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.447 ' CD ' ' O ' ' A' ' 76' ' ' THR . 50.3 Cg_endo -68.8 -25.19 33.57 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.402 2.068 . . . . 0.0 113.374 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.781 ' HD2' HD22 ' A' ' 22' ' ' LEU . 1.6 t80 -74.01 -48.31 31.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 111.521 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 82' ' ' LEU . 7.0 mt -64.9 -41.3 95.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.826 -179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.27 -38.38 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.349 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HE3' ' CD2' ' A' ' 27' ' ' PHE . 7.6 tttp -62.1 -37.22 84.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.565 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 5.6 t80 -75.9 -38.05 58.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -47.34 81.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.896 0.379 . . . . 0.0 110.48 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.68 -35.85 75.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.897 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -66.95 -40.23 87.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.805 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.905 HD13 ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -74.24 -38.42 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.93 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -7.01 54.73 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 t -63.17 -51.75 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -84.66 111.96 20.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.173 0.511 . . . . 0.0 112.268 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.51 -56.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.819 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.6 mt 56.03 74.67 0.67 Allowed Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.425 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.17 85.6 1.83 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.646 2.231 . . . . 0.0 112.208 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.8 t -46.44 -79.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.473 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 79.5 t60 62.76 63.35 1.77 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.795 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.77 150.68 31.02 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.618 2.212 . . . . 0.0 112.383 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.98 110.59 2.35 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.725 2.283 . . . . 0.0 112.367 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.55 76.88 4.29 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.475 2.117 . . . . 0.0 112.426 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -129.18 130.62 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.828 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.55 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 16.3 m . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.747 0.308 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 1' ' ' SER . . . 76.81 63.34 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.69 -177.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.5 mt -126.7 -36.01 2.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.51 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HA ' ' HG2' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -47.93 -31.46 5.22 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 121.238 0.542 . . . . 0.0 110.143 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.48 -34.42 35.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.951 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.438 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.4 m-80 -74.35 -47.17 36.03 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.416 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' HG2' ' HA ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -71.14 -30.98 67.15 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.023 0.44 . . . . 0.0 110.54 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.74 -44.68 76.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.366 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -42.5 99.64 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.429 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 7' ' ' ASN . 1.5 mp -69.45 -52.3 33.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.454 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -65.89 -38.98 90.16 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 122.112 -0.368 . . . . 0.0 111.073 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.589 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -63.92 -36.8 85.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.282 0.563 . . . . 0.0 109.576 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.24 -38.33 58.96 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.016 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.799 HD11 ' CB ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -71.02 -40.88 71.5 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.893 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.88 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -64.18 -45.04 90.12 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.13 -34.42 77.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.588 ' CD2' HD11 ' A' ' 22' ' ' LEU . 15.9 t80 -62.98 -42.33 99.81 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.923 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.832 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -69.4 -42.0 75.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.693 0.282 . . . . 0.0 111.085 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.6 t -62.54 -32.19 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.386 0.612 . . . . 0.0 109.454 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.981 HD11 ' CH2' ' A' ' 44' ' ' TRP . 4.2 tp -70.72 -40.13 73.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.621 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 19' ' ' SER . 6.6 mt -68.32 -44.29 75.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.167 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -30.96 63.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.717 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -100.94 30.04 4.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.665 0.269 . . . . 0.0 111.384 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.553 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -61.18 176.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.84 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.572 HG13 ' OH ' ' A' ' 85' ' ' TYR . 4.0 p -103.0 115.06 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.388 0.613 . . . . 0.0 110.974 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 41.3 m-85 -141.46 96.28 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.061 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.54 -63.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 119.466 1.03 . . . . 0.0 109.103 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -126.47 92.62 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.658 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.718 ' HB1' HD22 ' A' ' 89' ' ' LEU . . . -72.2 165.08 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -177.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.76 HD23 ' CE1' ' A' ' 92' ' ' HIS . 0.2 OUTLIER 102.05 68.53 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.003 -179.071 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.584 HG12 ' C ' ' A' ' 31' ' ' LEU . 1.5 p 153.96 -39.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.289 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.456 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 1.9 m -75.08 -4.07 36.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.556 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 38' ' ' VAL . 38.2 tt0 -63.65 -48.34 77.62 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.11 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.35 -44.88 57.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.193 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.907 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.9 t70 -59.95 -52.7 64.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.224 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 85' ' ' TYR . 10.5 tpp -58.07 -45.52 86.94 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 34' ' ' GLU . 3.7 t -55.68 -45.44 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.231 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 43' ' ' ASP . 54.7 m -67.55 -32.76 73.76 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.879 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 36' ' ' ASP . 67.4 t -62.54 -51.35 73.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.885 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.783 HG22 ' CE2' ' A' ' 81' ' ' PHE . 65.9 t -59.33 -49.9 81.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 110.177 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 45' ' ' MET . 1.4 tt0 -58.05 -39.12 77.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.571 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -64.3 -50.13 69.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.046 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.981 ' CH2' HD11 ' A' ' 21' ' ' LEU . 41.0 m0 -60.38 -49.49 77.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.973 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 6.2 ptp -56.96 -42.55 80.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 45' ' ' MET . 0.5 OUTLIER -69.53 -41.83 75.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.477 179.636 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -64.1 -36.13 83.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.217 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.73 -51.67 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 45' ' ' MET . 32.4 mm -56.21 -45.07 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.361 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 1.9 t30 -66.5 -43.92 84.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.311 . . . . 0.0 111.584 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.49 -29.15 62.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.708 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.679 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.9 m-85 -84.29 -44.42 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.339 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.815 ' HB2' HD11 ' A' ' 67' ' ' LEU . 4.3 ptm85 -51.54 -32.54 28.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -97.37 -25.57 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.663 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.454 ' HB2' ' HA ' ' A' ' 52' ' ' TYR . 5.7 mm100 -71.05 -9.8 58.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 52' ' ' TYR . 48.2 t -83.75 -74.59 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.604 0.24 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.567 HG23 ' C ' ' A' ' 56' ' ' VAL . 4.6 p 88.45 -118.48 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.522 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.505 ' N ' ' OG1' ' A' ' 57' ' ' THR . . . 39.15 -165.13 0.01 OUTLIER Glycine 0 C--N 1.34 0.801 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.316 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.05 167.33 9.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 122.798 -0.236 . . . . 0.0 110.474 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.38 -25.13 76.09 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.377 2.052 . . . . 0.0 112.491 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.4 -47.9 58.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.229 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.74 -39.44 84.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -55.0 6.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.01 -40.73 81.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -72.55 -43.13 63.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.247 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.815 HD11 ' HB2' ' A' ' 53' ' ' ARG . 12.0 mt -70.66 -45.58 64.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.284 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -63.24 -34.46 77.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.782 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 1.8 tt0 -72.64 -38.33 67.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 52' ' ' TYR . 6.4 tp -64.61 -51.72 61.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.675 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -57.25 -43.94 83.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.49 -50.35 69.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 110.372 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.799 ' CB ' HD11 ' A' ' 15' ' ' LEU . 7.0 mm-40 -56.43 -50.94 70.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.161 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.4 -48.13 77.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.013 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.52 -27.7 67.82 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.087 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.457 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 17.0 m -74.06 -55.81 5.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.373 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.567 HD11 HD23 ' A' ' 15' ' ' LEU . 20.6 mt -57.97 -43.49 86.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.902 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.42 -27.17 68.34 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.447 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.1 m120 -57.88 -55.89 40.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.787 -176.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HD2' ' O ' ' A' ' 76' ' ' THR . 38.5 Cg_endo -67.42 -24.24 43.07 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 121.91 1.74 . . . . 0.0 112.369 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.783 ' CE2' HG22 ' A' ' 41' ' ' VAL . 1.2 t80 -74.15 -44.98 51.58 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.051 0.453 . . . . 0.0 110.573 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -40.27 94.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.214 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.45 92.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.242 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -47.04 88.06 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.572 ' OH ' HG13 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -70.53 -38.65 74.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.622 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 11.9 mmm180 -64.17 -30.8 71.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.32 -38.96 68.55 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.297 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.679 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 1.1 t80 -63.93 -42.41 97.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.172 0.51 . . . . 0.0 110.248 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.718 HD22 ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -74.34 -35.27 63.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.406 179.338 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -72.14 -31.52 66.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.235 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 p -51.82 9.24 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.76 ' CE1' HD23 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -60.41 174.36 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -30.61 88.95 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' HIS . 67.9 mt 28.28 101.58 0.02 OUTLIER Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.02 -34.72 8.02 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.425 2.083 . . . . 0.0 111.42 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m 54.0 -111.54 0.63 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.699 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.433 ' HB2' ' CD ' ' A' ' 98' ' ' PRO . 40.3 m-70 -78.52 -64.9 0.35 Allowed Pre-proline 0 CA--C 1.53 0.201 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.4 Cg_endo -45.02 99.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.852 2.368 . . . . 0.0 112.84 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.494 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -47.65 -55.47 3.94 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.622 2.215 . . . . 0.0 112.839 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 99' ' ' PRO . 23.7 Cg_endo -60.64 -85.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.295 1.997 . . . . 0.0 112.417 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.4 t -168.68 22.81 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.959 -179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.884 0.374 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.71 91.09 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.806 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.23 67.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 71.65 72.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.799 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.63 -23.47 1.03 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.615 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.61 -31.66 16.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 39.4 p-10 -69.4 -45.69 68.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.008 0.433 . . . . 0.0 110.145 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.501 ' HA ' HD12 ' A' ' 11' ' ' ILE . 2.6 tmmm? -65.3 -39.4 92.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.869 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -60.73 -39.78 89.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.95 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -45.14 88.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 8' ' ' LYS . 16.2 mt -64.17 -51.51 67.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.194 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 t -65.6 -37.75 87.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.7 95.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.017 0.436 . . . . 0.0 110.139 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.69 -37.38 61.6 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.333 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.856 HD11 ' CG ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -69.06 -39.74 78.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 110.254 179.329 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.4 tttm -65.78 -53.1 44.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.174 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -55.58 -38.68 69.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.946 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.92 -44.56 97.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.603 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.6 p -62.86 -38.73 91.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.0 t -68.82 -42.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.193 0.521 . . . . 0.0 109.889 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.932 HD11 ' CH2' ' A' ' 44' ' ' TRP . 2.7 tp -62.47 -43.19 99.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.88 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.878 HD21 ' CG ' ' A' ' 81' ' ' PHE . 1.2 tt -64.46 -34.96 79.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.831 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 24' ' ' GLN . 19.9 p30 -82.81 -27.92 30.59 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.471 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.0 pt20 -65.49 2.88 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.534 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.1 mp0 -64.34 176.63 1.01 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 26' ' ' VAL . 14.8 p -99.76 50.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 92.2 m-85 -66.02 85.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.422 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -169.7 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.045 0.45 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -126.0 99.13 5.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.985 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.899 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -71.2 164.62 25.3 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.635 ' O ' HG12 ' A' ' 32' ' ' VAL . 26.6 mt 123.12 -172.38 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 112.955 -1.93 . . . . 0.0 107.757 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER 87.07 16.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 118.523 0.601 . . . . 0.0 111.247 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p 63.24 135.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.838 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.61 -29.51 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.33 -36.29 79.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.438 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.91 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.21 -53.74 48.34 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.0 tpp -60.25 -47.49 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.7 t -56.41 -44.99 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.763 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.0 m -64.1 -32.65 74.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.276 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 36' ' ' ASP . 39.3 t -67.5 -46.2 83.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.703 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.862 HG22 ' CE2' ' A' ' 81' ' ' PHE . 17.0 t -59.43 -52.61 58.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.569 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 45' ' ' MET . 2.4 tt0 -60.96 -41.2 95.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.646 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -49.48 74.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.674 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.932 ' CH2' HD11 ' A' ' 21' ' ' LEU . 40.2 m0 -59.4 -48.73 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.417 ' HG3' ' HA ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -52.83 -49.01 66.58 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.425 -179.219 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -64.48 -39.83 94.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.83 -36.27 83.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.356 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.419 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 3.6 m-85 -68.2 -50.49 53.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.803 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.456 HD11 HD13 ' A' ' 74' ' ' LEU . 1.4 mp -57.35 -52.7 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.336 . . . . 0.0 110.795 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.07 -40.63 81.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.902 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -73.49 -49.74 25.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.848 0.356 . . . . 0.0 111.585 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.925 ' CD2' HD21 ' A' ' 70' ' ' LEU . 18.0 m-85 -57.42 -37.53 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.19 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.891 ' HG2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -51.2 -37.48 46.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.16 -5.72 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.097 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.39 23.44 10.2 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.67 0.272 . . . . 0.0 111.466 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.852 HG12 ' H ' ' A' ' 58' ' ' GLY . 24.3 t -97.35 -85.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.075 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.8 p 89.01 -2.3 0.4 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.223 0.609 . . . . 0.0 111.432 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.852 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -86.13 -177.69 49.9 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 3.7 pm0 -71.3 165.17 50.95 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 117.84 0.82 . . . . 0.0 111.182 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.486 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 4.1 Cg_endo -46.1 -31.75 9.14 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.845 2.364 . . . . 0.0 112.574 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 26.4 tt0 -73.13 -46.77 49.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -43.73 98.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.838 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.608 ' HA ' HG11 ' A' ' 56' ' ' VAL . 24.0 mtt180 -65.69 -51.21 61.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.127 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.64 -50.61 68.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.344 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -53.22 -47.36 69.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.326 -179.364 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.25 60.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.238 0.542 . . . . 0.0 109.672 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.891 HD11 ' HG2' ' A' ' 53' ' ' ARG . 19.7 mt -53.45 -34.89 59.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.971 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -50.23 41.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.704 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -28.39 69.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.163 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.925 HD21 ' CD2' ' A' ' 52' ' ' TYR . 1.5 tp -68.74 -49.45 58.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.407 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -60.84 -43.1 98.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.757 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -65.12 -44.22 89.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.856 ' CG ' HD11 ' A' ' 15' ' ' LEU . 6.9 mm-40 -63.1 -39.53 94.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.456 HD13 HD11 ' A' ' 49' ' ' ILE . 7.1 mt -67.54 -39.4 85.0 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.185 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' ASN . 22.0 m-80 -62.58 -50.28 71.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.207 0.527 . . . . 0.0 109.715 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 73' ' ' GLU . 8.9 t -60.91 -38.18 84.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.631 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.762 HD11 HD23 ' A' ' 15' ' ' LEU . 10.4 mt -78.44 -33.89 48.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.298 0.571 . . . . 0.0 110.424 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.73 -28.88 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.394 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.602 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -58.37 -44.01 98.73 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.132 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 39.2 Cg_endo -66.7 -25.86 46.21 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 121.323 1.349 . . . . 0.0 111.277 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.878 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.2 t80 -70.27 -44.04 69.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.775 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -36.87 68.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.521 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . . . -76.46 -35.59 58.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.24 0.543 . . . . 0.0 110.131 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -66.14 -40.68 90.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.737 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.481 ' CE2' ' CB ' ' A' ' 37' ' ' MET . 0.6 OUTLIER -74.94 -42.34 57.88 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.709 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -60.51 -38.57 84.78 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.016 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 86' ' ' ARG . 1.9 t70 -71.39 -37.01 71.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.899 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -61.19 -50.32 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.462 179.304 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.838 HD12 ' HB3' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -70.04 -27.47 64.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.328 -179.742 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -7.68 54.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.732 0.301 . . . . 0.0 110.872 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.4 t -81.89 -55.4 4.63 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -59.92 112.21 1.77 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.762 0.792 . . . . 0.0 111.863 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.89 -173.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.371 -1.286 . . . . 0.0 113.35 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.621 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -47.92 101.92 0.29 Allowed Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 114.007 -1.451 . . . . 0.0 111.223 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -92.34 -167.41 0.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.058 2.506 . . . . 0.0 112.709 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.35 -166.17 2.0 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -98.06 138.96 20.98 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.34 136.67 7.81 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.652 2.235 . . . . 0.0 112.604 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.98 133.0 9.83 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.647 2.232 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.16 -55.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.286 1.991 . . . . 0.0 112.777 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -64.65 -63.23 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 111.136 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.884 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.677 0.275 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.53 26.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.467 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.824 HD12 ' OD1' ' A' ' 7' ' ' ASN . 0.2 OUTLIER -61.39 -28.64 69.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.834 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 3' ' ' LEU . 1.7 mt 98.71 117.08 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.455 0.702 . . . . 0.0 110.416 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -31.22 11.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.193 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.33 -38.4 52.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.825 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.824 ' OD1' HD12 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -73.91 -46.26 45.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.282 -179.817 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -29.84 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -43.48 62.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.076 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -43.57 84.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.856 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.4 -51.26 70.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -66.86 -38.59 86.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.557 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . -60.99 -35.21 76.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 109.972 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.09 -36.25 51.8 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.404 -0.903 . . . . 0.0 110.966 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.951 HD23 HD11 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -69.62 -40.6 76.48 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-O 120.603 0.239 . . . . 0.0 110.81 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.931 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -68.02 -53.19 27.69 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.753 0.311 . . . . 0.0 110.623 -179.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -57.91 -37.44 74.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.792 ' CZ ' HD11 ' A' ' 22' ' ' LEU . 23.4 t80 -70.47 -43.41 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.754 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -42.88 90.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.212 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.2 t -74.4 -28.96 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.082 0.468 . . . . 0.0 109.816 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -63.34 -44.73 94.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.877 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.792 HD11 ' CZ ' ' A' ' 18' ' ' PHE . 60.4 mt -82.57 -49.35 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 111.638 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' GLN . 57.8 m-20 -68.83 -16.67 63.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 2.9 tp-100 -23.91 -73.14 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.048 -0.978 . . . . 0.0 113.373 -178.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -54.78 152.98 6.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.106 0.479 . . . . 0.0 112.131 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.5 p -83.98 88.68 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -62.01 116.6 5.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.359 0.6 . . . . 0.0 111.048 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -134.68 -66.66 0.59 Allowed 'General case' 0 C--O 1.23 0.068 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.834 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -126.36 91.63 3.4 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' CE1' ' A' ' 92' ' ' HIS . . . -73.08 88.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -177.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.32 -63.39 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.264 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 33' ' ' SER . 14.5 p -32.08 154.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.452 ' N ' HG22 ' A' ' 32' ' ' VAL . 65.2 p -50.4 137.31 18.99 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.971 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.869 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.1 pp20? -74.82 -44.74 47.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.696 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.89 -43.09 69.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.712 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.695 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.2 t70 -56.48 -56.25 23.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.454 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 41.5 tpp -57.97 -42.35 84.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 34' ' ' GLU . 98.3 t -56.43 -45.68 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.685 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -63.24 -37.05 85.7 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.596 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 36' ' ' ASP . 39.2 t -57.68 -36.71 55.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.276 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.806 HG11 HD11 ' A' ' 82' ' ' LEU . 32.4 t -70.72 -47.5 63.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.796 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 45' ' ' MET . 3.8 mt-10 -61.37 -44.14 97.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.867 0.365 . . . . 0.0 110.665 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.9 -46.45 84.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.769 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.5 ' CH2' HD11 ' A' ' 21' ' ' LEU . 16.5 m0 -59.05 -49.41 78.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 1.9 ptm -61.72 -42.06 98.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.09 -44.41 76.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.902 0.382 . . . . 0.0 110.388 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -58.41 -36.56 73.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.442 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.38 -46.29 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.765 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.858 HD11 ' HG3' ' A' ' 71' ' ' ARG . 1.4 tp -57.08 -48.92 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.422 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -66.5 -44.56 82.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.909 0.385 . . . . 0.0 111.071 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.76 -27.58 67.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -84.7 -41.34 16.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.762 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.851 ' HB3' HD11 ' A' ' 67' ' ' LEU . 13.4 ptm180 -58.08 -40.76 81.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.603 0.24 . . . . 0.0 110.999 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -32.78 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 46.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.758 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 63' ' ' ARG . 1.6 t -148.3 89.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 57' ' ' THR . 23.8 m -92.6 27.58 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.79 -171.84 27.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.165 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.38 161.09 4.39 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.491 ' HA ' ' CG ' ' A' ' 63' ' ' ARG . 29.2 Cg_endo -62.16 -26.77 78.08 Favored 'Trans proline' 0 CA--C 1.517 -0.343 0 C-N-CA 122.468 2.112 . . . . 0.0 112.164 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 10.4 mt-30 -72.94 -48.42 37.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -43.59 80.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.139 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.681 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -74.41 -47.66 32.47 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.079 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.54 -40.45 83.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.997 0.427 . . . . 0.0 110.953 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -73.95 -40.96 62.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.73 -32.21 71.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 0.0 110.62 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.851 HD11 ' HB3' ' A' ' 53' ' ' ARG . 3.3 mm? -72.26 -45.93 58.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.689 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' A' ' 65' ' ' LYS . 11.8 pt20 -63.39 -36.58 84.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.046 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -35.76 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.892 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.44 -51.98 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.174 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.858 ' HG3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -60.23 -36.61 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.494 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.479 ' O ' HG22 ' A' ' 76' ' ' THR . 5.4 tp60 -69.59 -49.3 55.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 8.4 pt-20 -58.53 -43.53 89.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' A' ' 18' ' ' PHE . 39.7 mt -65.94 -41.3 91.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.609 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -67.73 -31.99 72.3 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 72' ' ' GLN . 9.1 t -81.88 -28.42 32.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.507 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.951 HD11 HD23 ' A' ' 15' ' ' LEU . 13.0 mt -81.53 -39.93 23.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.703 ' HB2' ' HZ ' ' A' ' 18' ' ' PHE . . . -78.74 -20.15 50.66 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.444 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.552 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -59.11 -54.94 51.46 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.946 -178.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -60.0 -37.63 83.69 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 121.98 1.786 . . . . 0.0 111.785 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.753 ' CD2' ' HB3' ' A' ' 22' ' ' LEU . 2.9 t80 -67.42 -35.54 79.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.806 HD11 HG11 ' A' ' 41' ' ' VAL . 6.8 mp -77.54 -39.22 46.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.78 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.56 -36.03 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.152 0.501 . . . . 0.0 109.991 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 6.2 ttpm? -69.59 -46.4 66.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.606 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.519 ' O ' HD23 ' A' ' 89' ' ' LEU . 6.1 t80 -61.77 -44.99 95.79 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.822 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.409 ' HE ' HD11 ' A' ' 89' ' ' LEU . 1.1 mmp_? -57.39 -54.48 46.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.958 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -38.77 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.536 0.684 . . . . 0.0 109.477 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -61.19 -51.37 69.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.975 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.606 HD13 ' CB ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -74.24 -24.89 59.37 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.552 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -87.36 -13.84 42.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.46 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -77.38 -59.43 2.78 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 89' ' ' LEU . 17.6 p-80 -60.19 124.04 19.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.578 0.704 . . . . 0.0 112.295 -177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -152.11 134.2 15.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.768 -1.106 . . . . 0.0 111.235 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.671 HD12 ' CB ' ' A' ' 97' ' ' HIS . 0.6 OUTLIER -114.73 142.35 28.18 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.571 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.7 -97.86 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 122.436 2.09 . . . . 0.0 112.647 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 5.4 m -60.0 98.46 0.06 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.882 0.372 . . . . 0.0 111.251 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.671 ' CB ' HD12 ' A' ' 94' ' ' LEU . 1.6 m-70 168.66 87.0 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.704 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.73 110.3 2.08 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.582 2.188 . . . . 0.0 112.258 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.47 152.45 38.66 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.442 2.095 . . . . 0.0 112.513 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.64 -176.42 2.0 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.544 2.163 . . . . 0.0 112.234 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.73 174.88 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.589 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 15.9 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 1' ' ' SER . . . 163.47 53.66 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.926 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.643 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -102.38 102.65 13.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.922 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 3' ' ' LEU . 4.0 mt 43.78 103.84 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.037 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.4 -24.24 1.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.576 -179.551 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.53 93.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.021 0.439 . . . . 0.0 110.644 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -63.46 -46.45 86.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.93 -31.6 72.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.941 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -65.45 -49.08 70.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.231 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.24 -46.47 90.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.871 0.367 . . . . 0.0 110.826 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 8' ' ' LYS . 21.1 mt -58.4 -50.6 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -58.98 -37.21 76.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.785 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.753 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -65.68 -45.91 81.09 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.87 79.01 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.005 -1.093 . . . . 0.0 111.224 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.666 HD23 HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -73.86 -40.36 63.3 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.569 0.223 . . . . 0.0 110.774 179.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.866 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -69.44 -43.2 73.81 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.774 0.321 . . . . 0.0 110.384 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.75 -46.73 89.32 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.468 ' CE1' HD21 ' A' ' 22' ' ' LEU . 3.4 t80 -55.51 -49.05 73.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.624 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -56.75 -40.47 75.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.247 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 16' ' ' LYS . 3.9 t -61.9 -42.5 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.146 0.498 . . . . 0.0 110.307 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.912 HD21 ' CE3' ' A' ' 44' ' ' TRP . 4.3 tp -58.97 -48.42 81.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.845 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.996 HD22 ' CD2' ' A' ' 81' ' ' PHE . 16.3 mt -59.8 -42.35 93.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.268 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.95 -33.93 71.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.91 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -85.97 62.25 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.056 0.455 . . . . 0.0 110.936 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.686 ' HG3' ' HE3' ' A' ' 37' ' ' MET . 0.5 OUTLIER -110.93 176.59 4.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.459 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . 19.9 t -94.81 62.82 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 121.259 0.552 . . . . 0.0 111.981 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.529 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 69.7 m-85 -64.82 167.3 7.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.641 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 27' ' ' PHE . 1.5 m-80 82.36 -88.48 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.602 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 26.8 m-20 -58.42 159.12 6.6 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.861 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . . . -126.12 71.09 1.24 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.222 -0.299 . . . . 0.0 110.516 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.811 ' O ' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -152.19 56.64 0.83 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.159 0.504 . . . . 0.0 111.493 -178.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.926 HG11 ' OH ' ' A' ' 85' ' ' TYR . 13.8 p -133.09 16.15 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.83 112.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.347 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 38' ' ' VAL . 29.9 tt0 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.747 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.7 -35.2 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.764 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.877 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.3 t70 -62.31 -55.45 28.07 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.686 ' HE3' ' HG3' ' A' ' 25' ' ' GLN . 55.7 tpp -59.34 -46.4 88.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 34' ' ' GLU . 84.1 t -57.01 -42.9 80.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.2 m -64.29 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 110.228 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 36' ' ' ASP . 16.7 t -61.32 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.978 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.62 -43.91 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.845 0.355 . . . . 0.0 110.489 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -39.97 94.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.824 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -38.91 83.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.603 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.912 ' CE3' HD21 ' A' ' 21' ' ' LEU . 15.8 m0 -67.33 -48.45 67.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.757 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.55 ' O ' HD12 ' A' ' 49' ' ' ILE . 28.0 ttm -57.99 -48.89 78.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.539 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.38 -41.04 98.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.166 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -67.72 -32.17 72.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.553 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.79 -46.32 58.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 74' ' ' LEU . 1.3 mp -62.08 -40.41 87.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.582 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 7.1 m120 -68.85 -39.31 79.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.97 -31.87 51.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.891 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.38 -38.28 60.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.586 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.765 ' HB3' HD21 ' A' ' 67' ' ' LEU . 14.3 ptp180 -55.51 -21.58 17.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.572 0.225 . . . . 0.0 111.51 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -75.84 -32.96 60.02 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 111.359 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -86.53 25.97 1.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.927 HG11 ' HA ' ' A' ' 63' ' ' ARG . 9.4 t -94.58 26.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -26.96 -15.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.827 ' N ' ' O ' ' A' ' 56' ' ' VAL . . . -68.15 175.22 28.74 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 176.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.6 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -80.85 177.58 2.92 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 119.503 1.652 . . . . 0.0 111.341 -179.368 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.6 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.7 Cg_endo -44.88 -33.97 8.05 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.949 2.433 . . . . 0.0 113.057 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 7.7 pt20 -69.14 -38.74 78.97 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -67.94 -33.5 74.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.578 178.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.927 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -72.02 -55.39 7.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.234 179.339 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -40.58 79.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -76.87 -47.36 21.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.774 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -63.15 -39.16 93.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.046 0.45 . . . . 0.0 110.642 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 53' ' ' ARG . 51.5 mt -69.37 -46.01 67.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.464 ' HG2' ' HA ' ' A' ' 65' ' ' LYS . 6.1 pt20 -64.76 -39.01 92.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.903 0.382 . . . . 0.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.4 -35.82 80.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.22 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -51.78 41.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.096 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -36.03 77.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -65.77 -50.28 65.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.615 ' CB ' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -62.19 -33.54 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.342 179.596 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.559 HD12 HD11 ' A' ' 49' ' ' ILE . 43.8 mt -71.27 -50.99 27.0 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.263 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -61.07 -24.8 66.48 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.755 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.2 m -87.29 -22.85 24.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.76 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.666 HD11 HD23 ' A' ' 15' ' ' LEU . 12.3 mt -87.36 -38.87 15.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.97 0.414 . . . . 0.0 110.29 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.61 -18.25 45.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.24 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.47 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -59.2 -55.85 42.03 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.052 -179.032 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 43.0 Cg_endo -68.5 -29.11 31.3 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.118 1.879 . . . . 0.0 112.494 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.996 ' CD2' HD22 ' A' ' 22' ' ' LEU . 9.5 t80 -73.94 -48.16 32.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.562 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.515 HD11 HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -63.74 -39.71 94.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.481 -179.245 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.604 ' HA ' ' HG2' ' A' ' 86' ' ' ARG . . . -70.62 -46.04 64.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 110.311 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -61.37 -38.99 89.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.861 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.926 ' OH ' HG11 ' A' ' 32' ' ' VAL . 6.0 t80 -72.47 -43.6 63.47 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.352 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.604 ' HG2' ' HA ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -59.58 -31.76 69.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.173 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 86' ' ' ARG . 0.7 OUTLIER -75.57 -35.02 60.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.038 178.672 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -65.62 -41.99 92.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.875 178.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.647 HD12 ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -74.61 -39.35 62.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.798 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -2.28 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.7 p -71.97 -1.0 12.92 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.861 ' CE1' ' HB3' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -60.13 174.28 0.54 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.037 -0.414 . . . . 0.0 110.976 -179.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.88 -50.78 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 pp -143.9 142.27 20.1 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.1 -88.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.092 . . . . 0.0 112.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.09 99.87 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.819 0.342 . . . . 0.0 111.019 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.409 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 13.6 p-80 -106.11 141.68 23.26 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.781 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -86.35 109.11 0.91 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.894 2.396 . . . . 0.0 112.64 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 97' ' ' HIS . 69.5 Cg_endo -92.01 149.77 3.21 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.884 2.39 . . . . 0.0 112.529 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.28 169.4 22.35 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.472 2.115 . . . . 0.0 112.003 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.74 -3.7 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.536 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.874 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.823 0.344 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -48.69 171.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.486 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.53 ' C ' HD12 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -157.05 42.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 3' ' ' LEU . 4.7 mp 69.63 71.73 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.732 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -51.79 -22.55 3.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.713 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.34 -40.5 59.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 0.0 111.45 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -70.18 -46.53 64.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.237 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -27.13 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.675 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -71.96 -46.47 57.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.113 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.27 -43.71 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.917 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 mt -63.73 -51.56 68.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.578 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -34.81 76.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.659 0.266 . . . . 0.0 110.982 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.96 93.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 109.901 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.06 -35.78 89.64 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.39 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.91 -40.08 87.58 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.064 0.459 . . . . 0.0 110.084 179.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.835 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.9 tttt -68.48 -53.07 25.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.064 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.44 -43.09 75.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.718 ' CD1' HD11 ' A' ' 22' ' ' LEU . 4.6 t80 -66.33 -43.7 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.636 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -41.85 90.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -68.52 -40.5 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.488 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.978 HD11 ' CH2' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -56.55 -47.53 79.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.203 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.758 HD22 ' CD2' ' A' ' 81' ' ' PHE . 3.9 mt -73.37 -38.25 65.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.687 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -65.91 -19.24 65.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 21' ' ' LEU . 7.1 pt20 -88.31 57.06 4.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 111.79 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -110.54 176.75 4.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.09 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 26' ' ' VAL . 17.0 t -97.05 50.55 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 59.3 m-85 -63.07 87.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.999 0.904 . . . . 0.0 110.284 -178.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.424 ' N ' ' CE2' ' A' ' 88' ' ' PHE . 56.9 t30 175.72 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 113.733 -1.576 . . . . 0.0 108.018 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.26 161.11 19.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 113.99 -1.459 . . . . 0.0 107.309 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -124.14 160.29 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 119.287 0.949 . . . . 0.0 109.505 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.849 HD22 ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER 173.44 165.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.586 0.231 . . . . 0.0 110.441 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.849 ' HB ' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER 61.63 128.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.8 m -53.64 157.81 2.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 38' ' ' VAL . 35.9 tt0 -55.43 -44.67 76.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.62 -30.09 65.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.713 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.5 -55.14 30.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.178 179.582 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.521 ' HE2' ' HZ ' ' A' ' 81' ' ' PHE . 4.1 tpt -57.94 -48.5 79.75 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 34' ' ' GLU . 98.6 t -56.18 -44.42 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.63 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.3 m -63.63 -37.95 89.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 109.921 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 36' ' ' ASP . 59.9 t -55.0 -51.53 52.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.554 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.68 -32.77 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.956 0.408 . . . . 0.0 110.091 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -44.11 91.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.415 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 2.3 p30 -73.05 -39.04 66.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.694 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.978 ' CH2' HD11 ' A' ' 21' ' ' LEU . 35.7 m0 -62.66 -49.63 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.969 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.2 ttm -60.7 -48.99 79.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.589 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -63.78 -42.19 97.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.516 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -63.52 -35.72 81.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.548 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.9 -48.79 62.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.0 mm -58.31 -48.47 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.001 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -60.01 -47.83 84.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.094 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -63.25 -49.49 73.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.912 ' O ' HG23 ' A' ' 56' ' ' VAL . 6.7 m-85 -61.92 -36.77 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.56 ' HA ' HD21 ' A' ' 67' ' ' LEU . 40.3 tpt85 -52.91 -37.41 60.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.98 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -26.17 20.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.22 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -78.88 -18.56 53.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.885 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 52' ' ' TYR . 93.9 t -69.39 -87.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 121.136 -0.226 . . . . 0.0 111.108 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.641 HG22 ' H ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER 87.91 -168.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.694 0.397 . . . . 0.0 110.09 -179.026 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 57' ' ' THR . . . 80.39 -172.68 54.68 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.678 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 4.3 mt-10 -56.92 167.79 0.99 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 117.12 0.46 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 30.7 Cg_endo -63.57 -28.25 69.9 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.466 2.111 . . . . 0.0 112.595 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -68.82 -48.06 64.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.973 0.416 . . . . 0.0 110.097 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.91 -40.58 84.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.785 ' HA ' HG11 ' A' ' 56' ' ' VAL . 29.2 mtt180 -73.52 -55.06 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.91 -38.6 76.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.555 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -72.36 -47.25 50.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.811 0.339 . . . . 0.0 111.273 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.72 89.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.119 0.485 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 63' ' ' ARG . 4.3 mm? -68.37 -45.97 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.147 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 1.1 pp0? -64.54 -32.35 73.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.528 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 5.5 mt-10 -69.46 -40.81 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.078 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.849 HD12 HD11 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -65.94 -51.81 55.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.005 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 ttm105 -57.58 -34.92 69.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.034 0.445 . . . . 0.0 110.132 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.429 ' HA ' ' ND2' ' A' ' 75' ' ' ASN . 4.6 tp-100 -72.08 -50.5 27.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.037 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.734 ' OE1' HD12 ' A' ' 77' ' ' LEU . 1.2 pp20? -59.37 -40.24 85.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.036 0.446 . . . . 0.0 110.234 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.849 HD11 HD12 ' A' ' 70' ' ' LEU . 37.9 mt -64.96 -46.92 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.935 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 76' ' ' THR . 25.8 p30 -65.94 -31.09 71.81 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.321 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.487 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 14.3 t -82.82 -28.45 30.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.468 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.734 HD12 ' OE1' ' A' ' 73' ' ' GLU . 12.0 mt -79.95 -41.67 25.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.421 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.66 -21.18 61.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.5 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -59.08 -56.43 36.19 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.329 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 22.8 Cg_endo -61.57 -37.0 73.22 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.121 1.881 . . . . 0.0 112.476 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.758 ' CD2' HD22 ' A' ' 22' ' ' LEU . 4.1 t80 -63.8 -34.87 78.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -35.09 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.46 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.35 -37.77 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.11 0.481 . . . . 0.0 109.986 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HD3' ' CE1' ' A' ' 27' ' ' PHE . 2.7 tttm -63.96 -45.78 87.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.365 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.426 ' CD2' ' HG2' ' A' ' 37' ' ' MET . 2.5 t80 -67.17 -38.92 86.24 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.648 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -60.59 -37.68 82.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.048 0.451 . . . . 0.0 110.342 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -39.33 71.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.528 ' HE1' ' HB2' ' A' ' 30' ' ' ALA . 8.9 t80 -73.78 -28.17 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.709 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -48.02 33.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.631 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -26.1 47.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.519 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.3 m -80.66 -53.03 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.502 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.684 ' CE1' HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -61.65 119.44 8.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.241 0.543 . . . . 0.0 111.995 -179.047 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -110.25 131.25 55.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.874 179.113 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.684 HD11 ' CE1' ' A' ' 92' ' ' HIS . 93.5 mt -160.63 -57.41 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.557 ' HD2' ' H ' ' A' ' 94' ' ' LEU . 35.4 Cg_endo -64.78 56.7 0.26 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.639 2.226 . . . . 0.0 113.841 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 1.3 t -74.47 -39.45 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.412 . . . . 0.0 110.246 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.488 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 15.8 m80 -166.66 48.85 0.18 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.653 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.504 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 1.8 Cg_endo -44.58 -57.31 2.08 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.019 2.479 . . . . 0.0 113.188 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 98' ' ' PRO . 6.2 Cg_endo -48.91 105.6 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.51 2.14 . . . . 0.0 112.434 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.05 94.14 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.519 2.146 . . . . 0.0 112.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.15 168.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.767 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.849 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.839 0.352 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.01 31.38 5.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER 169.71 -41.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.346 179.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mt 54.5 101.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.208 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.57 -34.92 12.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.895 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.94 -33.6 25.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.217 0.532 . . . . 0.0 110.224 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.15 -39.82 65.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.854 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -40.16 92.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.221 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.79 -41.44 97.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.742 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -45.9 91.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.461 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.664 HG22 HD13 ' A' ' 15' ' ' LEU . 16.5 mm -65.1 -51.57 64.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.3 t -60.6 -41.96 95.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.644 0.259 . . . . 0.0 111.169 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.88 89.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.98 0.419 . . . . 0.0 110.208 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -75.05 -30.64 58.82 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.33 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD21 ' HG2' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -72.41 -39.85 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.019 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 20' ' ' VAL . 17.5 ttmt -65.64 -53.11 45.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.192 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 2.4 pp20? -56.17 -39.22 72.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.971 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.938 ' CE2' HD11 ' A' ' 22' ' ' LEU . 6.8 t80 -60.83 -49.09 78.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.019 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.09 -38.71 80.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.379 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.4 t -67.73 -32.45 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.126 0.488 . . . . 0.0 110.242 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.959 HD11 ' CH2' ' A' ' 44' ' ' TRP . 9.2 tp -77.06 -45.17 27.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.938 HD11 ' CE2' ' A' ' 18' ' ' PHE . 80.8 mt -66.08 -34.3 77.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' A' ' 25' ' ' GLN . 8.6 m-80 -85.59 -26.73 25.94 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -60.26 14.13 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 14.2 mm-40 -82.77 176.79 9.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 118.238 0.472 . . . . 0.0 110.253 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 26' ' ' VAL . 19.3 t -103.03 50.95 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 25' ' ' GLN . 2.2 m-85 -62.64 93.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.393 0.616 . . . . 0.0 110.401 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -156.88 -50.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.475 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.43 108.03 10.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.906 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 89' ' ' LEU . . . -71.45 109.93 5.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.923 0.868 . . . . 0.0 112.901 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.576 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 1.8 mp -170.79 170.08 6.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 113.745 -1.571 . . . . 0.0 107.612 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.576 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 1.3 p 112.87 -53.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.246 0.619 . . . . 0.0 111.786 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 11.2 t 146.44 129.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.797 0.439 . . . . 0.0 110.579 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.695 ' O ' HG23 ' A' ' 38' ' ' VAL . 15.5 tp10 -74.7 -47.01 33.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.66 -29.7 70.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.815 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.89 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.5 t70 -63.39 -56.15 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.429 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.465 ' CB ' ' CE2' ' A' ' 85' ' ' TYR . 52.8 tpp -58.05 -47.04 84.34 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 34' ' ' GLU . 78.0 t -56.63 -44.86 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.162 -178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -34.22 77.51 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-O 120.989 0.423 . . . . 0.0 110.388 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 36' ' ' ASP . 29.6 t -63.73 -48.97 84.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.05 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.661 HG22 ' HE2' ' A' ' 81' ' ' PHE . 31.3 t -59.94 -47.59 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -41.08 98.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.395 . . . . 0.0 110.698 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -60.99 -50.32 73.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.31 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.959 ' CH2' HD11 ' A' ' 21' ' ' LEU . 49.8 m0 -61.19 -48.78 79.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.509 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.539 ' O ' HD12 ' A' ' 49' ' ' ILE . 23.3 ttp -55.76 -48.83 74.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.783 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -63.47 -39.64 94.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.827 0.346 . . . . 0.0 110.959 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -65.82 -38.53 89.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.423 . . . . 0.0 110.455 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 2.5 m-85 -65.49 -48.4 72.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.029 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.609 HG23 HD12 ' A' ' 67' ' ' LEU . 1.3 mp -59.1 -48.0 88.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.759 0.314 . . . . 0.0 110.786 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.408 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -61.43 -35.32 77.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.457 -179.602 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -82.21 -30.68 30.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.535 ' HD2' HD21 ' A' ' 70' ' ' LEU . 4.4 m-85 -76.02 -40.52 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.569 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.959 ' HA ' HD21 ' A' ' 67' ' ' LEU . 4.2 ptm85 -53.4 -30.16 38.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 111.081 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -80.8 -15.18 57.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.468 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -95.48 23.5 5.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.783 0.325 . . . . 0.0 111.475 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.659 HG12 ' H ' ' A' ' 58' ' ' GLY . 14.1 t -98.99 -83.94 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.041 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.604 HG23 ' C ' ' A' ' 56' ' ' VAL . 2.5 p 88.06 4.51 0.27 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.096 0.558 . . . . 0.0 111.605 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.659 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -86.92 -179.85 48.8 Favored Glycine 0 C--N 1.331 0.302 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.46 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 3.7 pm0 -67.45 162.71 53.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 117.817 0.809 . . . . 0.0 110.717 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 5.3 Cg_endo -47.09 -32.32 13.25 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.751 2.301 . . . . 0.0 112.699 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.47 -47.96 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.488 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -35.89 82.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.469 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HA ' HG11 ' A' ' 56' ' ' VAL . 4.5 ttm180 -70.85 -49.85 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.743 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -36.11 77.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -64.73 -47.33 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.35 -53.0 59.45 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.727 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.959 HD21 ' HA ' ' A' ' 53' ' ' ARG . 3.4 mm? -53.53 -31.95 48.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.648 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -71.96 -41.64 67.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -69.32 -37.38 77.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.251 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.535 HD21 ' HD2' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -66.87 -45.42 78.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.144 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -43.14 98.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.516 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -62.53 -49.45 75.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.774 ' HG2' HD21 ' A' ' 15' ' ' LEU . 1.7 mt-10 -60.16 -43.8 95.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.425 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 HD11 ' A' ' 49' ' ' ILE . 5.1 mt -59.96 -43.85 94.81 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.411 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -64.79 -36.4 84.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 12.0 m -67.97 -39.53 83.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.362 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.466 HD11 HD23 ' A' ' 15' ' ' LEU . 51.4 mt -79.46 -37.13 37.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.362 0.601 . . . . 0.0 109.965 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.545 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -76.07 -26.35 56.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.196 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.527 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.4 m-20 -58.47 -53.91 61.31 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.113 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 31.7 Cg_endo -63.8 -31.37 68.38 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 121.826 1.684 . . . . 0.0 111.964 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.782 ' CD2' HD22 ' A' ' 22' ' ' LEU . 10.9 t80 -74.34 -49.75 21.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.241 0.543 . . . . 0.0 111.141 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 tt -73.08 -35.09 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.597 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 86' ' ' ARG . . . -76.74 -37.95 55.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 110.721 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -70.9 -35.04 72.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.947 179.295 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.542 ' O ' HD12 ' A' ' 89' ' ' LEU . 30.3 t80 -73.09 -48.13 38.42 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.869 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.619 ' O ' HD13 ' A' ' 89' ' ' LEU . 11.1 ptm180 -59.75 -41.54 91.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.493 0.663 . . . . 0.0 109.849 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' SER . 2.4 m-20 -70.54 -31.83 69.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.216 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 66.6 t80 -66.85 -52.44 43.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.108 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.707 HD22 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.38 -22.34 57.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.555 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.421 ' N ' HD13 ' A' ' 89' ' ' LEU . 10.9 mmtt -89.08 -14.79 35.51 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.742 0.306 . . . . 0.0 111.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 32.5 t -98.59 -52.29 3.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.887 0.375 . . . . 0.0 111.006 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 122.39 15.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.702 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.46 119.51 10.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.078 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.609 ' H ' ' HD2' ' A' ' 95' ' ' PRO . 3.3 mt -119.34 -64.26 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.609 ' HD2' ' H ' ' A' ' 94' ' ' LEU . 31.1 Cg_endo -63.97 62.85 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.585 2.19 . . . . 0.0 113.385 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t 72.44 175.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.067 0.461 . . . . 0.0 111.504 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.422 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 53.4 p-80 -98.67 158.13 33.03 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.722 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 97' ' ' HIS . 6.0 Cg_endo -48.27 150.98 4.79 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.649 2.233 . . . . 0.0 111.994 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.61 107.25 2.34 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.757 2.304 . . . . 0.0 112.5 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 98' ' ' PRO . 35.5 Cg_endo -94.48 -77.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.22 2.614 . . . . 0.0 112.46 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 1.5 m 80.59 -1.42 1.89 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.636 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.1 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.01 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.6 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 40.8 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.441 0.162 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.6 ' CB ' ' O ' ' A' ' 1' ' ' SER . . . 106.57 123.27 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.219 0.608 . . . . 0.0 110.902 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.495 HD22 ' O ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER -140.34 -164.0 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.53 -179.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.435 HD22 ' OE2' ' A' ' 59' ' ' GLU . 9.2 mp -90.81 127.38 36.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.629 0.252 . . . . 0.0 110.363 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -48.7 -28.22 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.469 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.48 81.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.86 -46.54 68.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.667 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -65.29 -37.11 86.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.385 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.87 -48.82 78.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.337 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -45.41 93.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.283 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.523 HG22 HD13 ' A' ' 15' ' ' LEU . 15.7 mt -62.4 -51.26 74.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.331 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.3 m -64.48 -35.83 82.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.298 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.86 71.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.753 0.311 . . . . 0.0 110.617 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.73 -34.63 83.71 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.524 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -68.9 -39.79 79.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 110.213 179.46 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.717 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -62.4 -53.13 59.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.412 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.31 -41.45 79.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.5 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.63 ' CE2' HD12 ' A' ' 22' ' ' LEU . 39.2 t80 -59.67 -40.49 87.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -41.57 82.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.525 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.7 t -63.79 -36.92 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.144 0.497 . . . . 0.0 110.781 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.775 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -79.25 -42.35 26.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.838 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.96 HD21 ' CG ' ' A' ' 81' ' ' PHE . 5.2 tt -65.83 -36.59 83.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.04 -0.42 44.29 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.03 21.31 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.622 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 46.2 mm-40 -76.72 176.77 8.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.713 0.292 . . . . 0.0 110.964 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.02 HG11 HD21 ' A' ' 31' ' ' LEU . 14.6 p -106.46 51.47 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 98.5 m-85 -62.74 85.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.858 0.837 . . . . 0.0 110.447 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 175.27 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.137 -1.392 . . . . 0.0 107.738 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.57 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.7 m-20 -126.15 160.69 29.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 177.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.768 ' C ' HD23 ' A' ' 31' ' ' LEU . . . -124.78 156.87 37.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 119.868 1.213 . . . . 0.0 109.38 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.02 HD21 HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -139.71 6.77 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.696 -0.402 . . . . 0.0 112.052 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 33' ' ' SER . 9.9 p -170.36 161.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.923 0.392 . . . . 0.0 111.719 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.475 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -62.74 165.43 6.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.138 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.87 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.3 pm0 -66.6 -34.95 79.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -37.8 76.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.6 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.906 ' O ' HG23 ' A' ' 40' ' ' VAL . 21.9 t70 -58.67 -53.71 55.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.273 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.775 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -57.91 -43.32 86.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 34' ' ' GLU . 98.3 t -56.43 -44.68 80.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.999 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.8 m -68.99 -38.03 79.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 110.157 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 36' ' ' ASP . 36.9 t -60.51 -49.6 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.599 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 37' ' ' MET . 21.3 t -59.39 -48.03 88.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.371 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -38.88 90.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.73 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -51.23 68.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.974 0.416 . . . . 0.0 110.348 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.723 ' CH2' HD11 ' A' ' 21' ' ' LEU . 50.7 m0 -58.89 -47.34 85.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.773 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 41.1 ttp -60.69 -45.12 95.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -66.38 -43.26 86.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.016 0.436 . . . . 0.0 110.447 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 52.8 t80 -63.84 -36.2 83.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.721 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -75.1 -46.07 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 50' ' ' ASN . 3.6 tp -61.01 -45.23 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.999 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -67.88 -48.01 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.291 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 47' ' ' PHE . 10.3 t80 -59.96 -46.1 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.636 ' CD2' HD21 ' A' ' 70' ' ' LEU . 16.6 m-85 -68.61 -30.91 69.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.699 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.64 ' HA ' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -53.81 -32.48 52.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -82.03 -32.65 30.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -68.36 50.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.251 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.691 HG11 ' CA ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -147.67 177.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.161 179.696 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.538 ' HB ' ' O ' ' A' ' 56' ' ' VAL . 4.2 t 143.91 -15.97 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.994 0.809 . . . . 0.0 110.827 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . -70.75 0.65 26.91 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.009 -0.615 . . . . 0.0 114.135 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 1.4 pt-20 153.74 149.21 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 117.431 0.615 . . . . 0.0 111.308 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.88 -31.29 84.9 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.363 2.042 . . . . 0.0 110.657 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG3' ' HG3' ' A' ' 65' ' ' LYS . 16.3 tt0 -69.45 -29.79 67.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.579 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.513 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -71.03 -53.15 15.76 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.938 179.123 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.691 ' CA ' HG11 ' A' ' 56' ' ' VAL . 4.3 ptp180 -64.5 -54.9 25.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.464 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.79 -44.66 82.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.966 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 61' ' ' GLN . 3.1 mmpt? -77.39 -36.84 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.705 0.288 . . . . 0.0 111.632 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -66.33 -49.68 66.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 0.0 110.551 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.64 HD21 ' HA ' ' A' ' 53' ' ' ARG . 4.0 mm? -67.09 -42.2 85.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -68.44 -38.68 81.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 110.485 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -69.55 -32.77 71.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.019 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.636 HD21 ' CD2' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -70.16 -51.97 27.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -57.29 -36.48 71.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.685 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -74.51 -50.53 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.708 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.638 ' HB3' HD21 ' A' ' 15' ' ' LEU . 56.3 mm-40 -56.63 -51.04 70.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.076 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.62 -48.75 80.45 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.581 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -57.85 -26.99 62.81 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.467 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -85.25 -23.34 28.26 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.593 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.38 -49.05 11.14 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.234 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.04 -21.82 64.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.277 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.447 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -58.62 -59.57 13.18 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.688 -178.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 34.2 Cg_endo -64.24 -25.73 64.7 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.18 1.92 . . . . 0.0 112.355 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.96 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.4 t80 -73.31 -47.53 41.95 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.943 0.402 . . . . 0.0 111.216 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.736 HD11 HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.85 -39.76 94.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.062 -179.65 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.71 -34.76 69.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.042 0.449 . . . . 0.0 110.01 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.401 ' HA ' ' OD2' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -64.79 -45.21 87.26 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.746 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.444 ' CE2' ' CG ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -74.58 -28.74 61.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.897 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -72.21 -41.79 66.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.547 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 91' ' ' SER . 0.1 OUTLIER -69.14 -41.89 76.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 1.5 t80 -70.61 -35.07 72.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.461 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.66 HD12 ' HB3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -74.14 -44.84 52.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.494 179.724 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -26.22 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 73.3 p -71.12 4.1 2.99 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.57 112.36 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.469 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER 56.76 92.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.439 -179.53 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.578 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 7.3 mt 118.03 147.57 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 124.113 0.965 . . . . 0.0 110.045 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.527 ' O ' ' C ' ' A' ' 96' ' ' SER . 83.5 Cg_endo -79.16 -37.06 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.714 2.276 . . . . 0.0 113.188 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.527 ' C ' ' O ' ' A' ' 95' ' ' PRO . 3.2 t 8.71 73.27 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.475 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 1.3 t60 176.72 -59.39 0.0 OUTLIER Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.655 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 97' ' ' HIS . 11.0 Cg_endo -55.16 167.35 1.79 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.468 2.112 . . . . 0.0 112.803 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' CB ' ' HD2' ' A' ' 100' ' ' PRO . 36.7 Cg_endo -65.37 173.59 6.18 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.867 2.378 . . . . 0.0 112.426 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 99' ' ' PRO . 12.1 Cg_endo -55.81 -161.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.703 2.269 . . . . 0.0 112.303 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.9 p -130.82 109.23 10.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.861 0.362 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.49 -89.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.044 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.606 ' H ' HD12 ' A' ' 3' ' ' LEU . 2.2 mp -59.25 -161.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.56 148.17 22.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.146 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -48.49 -28.64 3.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.743 0.306 . . . . 0.0 111.085 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.58 -46.53 66.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.095 0.474 . . . . 0.0 110.341 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.585 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.3 m-20 -73.54 -45.27 54.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.267 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -60.97 -43.57 98.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.343 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.73 -43.66 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.194 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -45.54 85.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.899 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 7' ' ' ASN . 1.7 mp -64.52 -51.5 67.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.306 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -60.43 -41.95 95.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.82 92.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.0 110.291 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.13 -28.57 71.41 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.653 -0.785 . . . . 0.0 111.528 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CG ' ' HB2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -72.21 -39.83 68.28 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.638 0.256 . . . . 0.0 110.865 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.902 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -71.13 -43.23 68.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.76 0.314 . . . . 0.0 110.961 -179.62 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.561 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 5.1 tt0 -63.58 -44.3 94.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.318 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.873 ' CE2' HD11 ' A' ' 22' ' ' LEU . 10.4 t80 -64.8 -43.53 92.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.738 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 p -63.18 -41.67 99.24 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 16' ' ' LYS . 5.3 t -69.74 -41.25 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.309 0.576 . . . . 0.0 110.238 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.836 HD11 ' CH2' ' A' ' 44' ' ' TRP . 2.8 tp -61.03 -49.05 78.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.025 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.873 HD11 ' CE2' ' A' ' 18' ' ' PHE . 90.3 mt -69.26 -31.9 70.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.949 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.496 ' C ' ' H ' ' A' ' 25' ' ' GLN . 18.7 m-80 -84.06 -32.2 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.585 ' HG3' HG12 ' A' ' 20' ' ' VAL . 6.3 mt-30 -59.28 24.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.496 ' H ' ' C ' ' A' ' 23' ' ' ASN . 15.8 mm-40 -88.07 176.78 7.14 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.894 -0.504 . . . . 0.0 109.945 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 26' ' ' VAL . 35.4 m -102.45 50.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 31.5 m-85 -62.93 101.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.388 0.613 . . . . 0.0 110.841 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -170.01 -46.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.785 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.703 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -126.47 101.93 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.284 178.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.705 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . . . -71.05 115.41 10.16 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 122.236 1.017 . . . . 0.0 113.109 -175.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 29' ' ' ASP . 0.6 OUTLIER 179.69 160.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 113.272 -1.786 . . . . 0.0 107.941 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.7 p 126.43 -51.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.203 0.601 . . . . 0.0 110.728 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 3.4 t 150.44 129.13 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.929 0.491 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.578 ' HB2' HD21 ' A' ' 89' ' ' LEU . 42.1 tt0 -74.63 -47.19 33.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.969 0.414 . . . . 0.0 111.526 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -28.95 67.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.254 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.881 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.2 m-20 -63.96 -54.58 32.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 0.0 110.137 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.457 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -57.94 -50.29 73.86 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.632 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 34' ' ' GLU . 53.8 t -56.28 -44.68 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.0 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.577 HG22 ' OD2' ' A' ' 43' ' ' ASP . 45.5 m -63.17 -35.73 81.28 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.416 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 36' ' ' ASP . 45.6 t -62.48 -49.13 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.753 HG22 ' CE2' ' A' ' 81' ' ' PHE . 47.0 t -59.68 -48.85 85.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.759 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -43.59 96.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.757 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.577 ' OD2' HG22 ' A' ' 39' ' ' THR . 0.9 OUTLIER -60.86 -50.66 72.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.836 ' CH2' HD11 ' A' ' 21' ' ' LEU . 45.8 m0 -59.39 -48.62 80.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.964 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.921 ' HG3' HD12 ' A' ' 74' ' ' LEU . 6.5 ttp -55.24 -48.98 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.301 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -62.82 -42.41 99.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -63.86 -33.57 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -69.84 -49.62 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.79 -50.99 77.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.76 -43.72 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.367 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -66.47 -49.6 66.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 111.153 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -61.68 -33.63 74.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.41 -38.77 69.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -84.35 -0.61 53.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.579 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.91 30.25 5.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.716 0.293 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' A' ' 63' ' ' ARG . 1.3 t -143.14 118.22 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -160.86 56.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . -135.07 10.56 4.47 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.644 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 1.3 pt-20 147.6 144.62 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.556 0 C-N-CA 123.571 0.748 . . . . 0.0 110.691 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.94 -28.17 76.59 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.217 1.944 . . . . 0.0 110.725 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -71.1 -33.78 70.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.169 178.56 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.644 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -70.69 -41.47 71.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.429 179.251 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HA ' HG11 ' A' ' 56' ' ' VAL . 16.4 mtm180 -73.37 -55.85 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.063 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.56 -41.24 89.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -76.86 -37.19 56.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.881 -179.053 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -74.56 -37.13 63.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.966 0.412 . . . . 0.0 110.769 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.0 mt -72.08 -38.59 69.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.202 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -68.45 -39.95 81.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.94 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -33.84 75.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.827 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -66.68 -52.1 48.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.223 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -58.85 -37.19 75.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.078 0.466 . . . . 0.0 110.354 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -70.77 -46.58 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.697 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 7.8 pt-20 -68.57 -22.89 64.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.741 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.921 HD12 ' HG3' ' A' ' 45' ' ' MET . 0.1 OUTLIER -79.82 -48.38 13.64 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.957 178.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 55.5 m-80 -67.06 -25.93 66.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.6 m -83.29 -33.14 26.03 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.94 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.4 -33.25 25.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.082 0.467 . . . . 0.0 110.262 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.6 -21.21 38.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.136 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.526 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -59.12 -52.25 76.01 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 -178.498 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 42.9 Cg_endo -68.73 -31.2 26.25 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 121.97 1.78 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.776 ' CD2' HD22 ' A' ' 22' ' ' LEU . 1.7 t80 -71.92 -46.36 57.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.476 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.6 mt -69.69 -39.77 76.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.334 -0.394 . . . . 0.0 112.002 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.08 -35.13 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.019 0.438 . . . . 0.0 110.411 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -67.17 -38.11 84.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.343 179.537 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 37' ' ' MET . 8.0 t80 -71.18 -44.37 65.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.708 0.289 . . . . 0.0 111.216 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -54.46 46.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.027 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -62.3 -38.6 90.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.091 0.472 . . . . 0.0 110.241 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.705 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 26.5 t80 -64.08 -41.72 97.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 34' ' ' GLU . 15.0 tp -74.3 -33.19 63.13 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -89.89 -18.65 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.9 p -52.97 -48.56 67.32 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.653 ' NE2' ' HB3' ' A' ' 30' ' ' ALA . 7.3 p80 -84.94 112.7 20.81 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -133.41 139.25 46.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.459 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -100.79 162.95 19.07 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.696 0.284 . . . . 0.0 110.937 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.28 109.46 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.768 2.312 . . . . 0.0 112.773 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.0 t -120.91 -56.83 1.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.484 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.519 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 10.3 p80 -162.8 45.81 0.16 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.956 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 97' ' ' HIS . 1.2 Cg_endo -45.96 -56.87 2.53 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.923 2.415 . . . . 0.0 112.924 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 98' ' ' PRO . 17.6 Cg_endo -58.16 113.02 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.432 2.088 . . . . 0.0 112.342 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 101' ' ' SER . 73.9 Cg_endo -75.63 108.56 2.72 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.452 2.102 . . . . 0.0 112.309 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 0.2 OUTLIER 85.94 -27.52 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.58 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.629 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 21.9 p . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.594 0.235 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 1' ' ' SER . . . 95.89 143.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.022 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 2' ' ' ALA . 0.8 OUTLIER 91.3 165.43 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.559 -179.34 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.88 144.48 25.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.248 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.76 -36.83 17.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.279 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.4 -38.19 52.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.971 0.415 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -72.36 -46.61 54.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.766 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -34.12 76.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.593 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -68.95 -44.08 73.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.116 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.521 HD21 ' CD1' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -67.24 -45.17 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.85 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.412 HD11 ' HB1' ' A' ' 66' ' ' ALA . 31.2 mm -63.46 -51.11 74.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.744 0.307 . . . . 0.0 110.749 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 t -65.43 -39.41 92.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.05 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.094 0.473 . . . . 0.0 110.229 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -72.01 -39.1 59.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.202 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.759 HD11 ' HG3' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -68.17 -39.66 82.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.562 0.22 . . . . 0.0 110.866 179.535 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -65.67 -53.21 44.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.958 0.408 . . . . 0.0 110.472 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.26 -37.3 72.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.282 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.657 ' CE2' HD11 ' A' ' 22' ' ' LEU . 3.4 t80 -68.66 -42.7 77.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.552 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.4 p -61.56 -40.17 93.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.806 0.336 . . . . 0.0 111.101 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 16' ' ' LYS . 8.7 t -71.56 -37.54 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.403 0.621 . . . . 0.0 109.767 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.96 HD11 ' CH2' ' A' ' 44' ' ' TRP . 10.6 tp -61.55 -49.2 77.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.725 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.753 HD22 ' HD2' ' A' ' 81' ' ' PHE . 52.3 mt -69.57 -32.7 71.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.066 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 25' ' ' GLN . 12.9 m-20 -76.84 -34.27 57.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -59.72 21.12 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -81.47 176.64 9.52 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.746 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 26' ' ' VAL . 21.9 t -106.11 50.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.776 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 25' ' ' GLN . 30.4 m-85 -62.6 96.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.782 0.801 . . . . 0.0 110.406 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -171.24 -69.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.421 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.32 92.13 3.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.591 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.689 ' C ' HD22 ' A' ' 31' ' ' LEU . . . -72.88 101.99 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.141 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.689 HD22 ' C ' ' A' ' 30' ' ' ALA . 3.9 mm? -135.27 38.88 2.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.995 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.698 HG22 ' N ' ' A' ' 33' ' ' SER . 0.9 OUTLIER -120.35 -91.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.47 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.698 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -167.39 138.49 3.06 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.926 0.393 . . . . 0.0 111.051 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.748 ' OE2' HD12 ' A' ' 89' ' ' LEU . 4.8 tp10 -74.74 -47.15 32.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.666 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.67 -33.24 75.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.558 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.902 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -61.84 -55.51 29.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.35 . . . . 0.0 110.148 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.498 ' HE1' ' NE2' ' A' ' 25' ' ' GLN . 37.2 tpp -57.78 -48.78 78.69 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.7 t -56.01 -45.16 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.953 -177.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 m -63.52 -34.74 78.44 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.299 -0.561 . . . . 0.0 110.455 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 36' ' ' ASP . 26.0 t -62.15 -51.18 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.215 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.444 HG22 ' CE2' ' A' ' 81' ' ' PHE . 39.8 t -59.42 -49.29 84.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -44.73 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.11 -41.16 91.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.192 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.96 ' CH2' HD11 ' A' ' 21' ' ' LEU . 31.3 m0 -66.0 -49.14 68.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.879 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.417 ' O ' HD13 ' A' ' 49' ' ' ILE . 30.0 ttm -54.1 -49.01 70.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.325 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -42.18 98.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.947 0.403 . . . . 0.0 110.357 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.487 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 67.6 t80 -60.74 -36.28 78.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.825 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -69.06 -49.17 59.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.182 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.475 HD11 HD12 ' A' ' 74' ' ' LEU . 1.7 mp -57.03 -53.22 45.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.698 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -67.19 -33.46 75.44 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 47' ' ' PHE . 23.3 t80 -73.14 -49.57 27.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.873 0.368 . . . . 0.0 111.206 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.521 ' CD1' HD21 ' A' ' 10' ' ' LEU . 1.3 m-85 -62.2 -35.17 78.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 56' ' ' VAL . 1.8 ttp180 -56.04 -40.31 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -88.51 -6.41 57.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.119 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' OE1' ' CD2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -96.64 37.39 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.965 0.412 . . . . 0.0 111.099 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.851 HG12 ' NH1' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -131.66 -162.16 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 -179.629 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER 175.2 17.49 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 179.196 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.692 ' H ' ' CD ' ' A' ' 63' ' ' ARG . . . -101.67 -167.02 27.37 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 63' ' ' ARG . 1.9 mp0 -59.59 160.34 14.43 Favored Pre-proline 0 CA--C 1.528 0.099 0 CA-C-N 117.567 0.684 . . . . 0.0 111.194 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.05 -30.04 32.77 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.76 2.307 . . . . 0.0 112.971 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -73.07 -44.92 59.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.48 ' HB3' HH21 ' A' ' 63' ' ' ARG . 1.0 OUTLIER -67.67 -42.4 82.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.619 179.512 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.851 ' NH1' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -65.74 -43.8 87.91 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.473 179.332 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.43 -39.89 81.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.138 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -47.58 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.753 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -65.57 -52.08 54.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 53' ' ' ARG . 1.8 mm? -48.53 -39.0 21.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.409 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 3.1 mt-30 -65.78 -50.5 64.49 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.016 0.436 . . . . 0.0 110.361 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.98 -38.02 78.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.296 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -47.48 85.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.176 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -57.73 -50.99 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.186 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 68' ' ' GLN . 2.3 mm100 -57.78 -50.33 73.61 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.81 0.338 . . . . 0.0 111.05 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.759 ' HG3' HD11 ' A' ' 15' ' ' LEU . 8.4 mm-40 -55.37 -49.51 72.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.812 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.494 HD22 ' CZ ' ' A' ' 18' ' ' PHE . 46.5 mt -57.14 -43.35 82.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -65.88 -48.83 70.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.171 0.51 . . . . 0.0 109.841 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.426 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 32.6 m -58.38 -34.08 70.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.391 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -80.09 -48.43 13.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.711 0.767 . . . . 0.0 109.165 178.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.43 -28.87 70.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.373 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.453 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -58.31 -58.61 17.65 Favored Pre-proline 0 CA--C 1.53 0.184 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 14.1 Cg_endo -57.48 -31.85 92.52 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 121.756 1.637 . . . . 0.0 112.113 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.753 ' HD2' HD22 ' A' ' 22' ' ' LEU . 2.0 t80 -70.68 -39.79 73.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.566 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.53 -39.61 58.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.452 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.26 66.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.785 0.326 . . . . 0.0 110.688 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 81' ' ' PHE . 13.7 ptmm? -70.96 -37.72 72.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.583 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.29 -39.51 74.81 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.738 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -54.54 37.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.947 0.404 . . . . 0.0 110.033 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -35.82 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.87 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 3.1 t80 -60.92 -49.88 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.748 HD12 ' OE2' ' A' ' 34' ' ' GLU . 58.4 mt -74.1 -26.88 60.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.762 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.787 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.2 mptp? -88.29 -10.48 49.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.272 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.424 ' O ' ' HD2' ' A' ' 95' ' ' PRO . 76.0 p -85.71 -55.27 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.384 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.517 ' O ' ' CB ' ' A' ' 93' ' ' GLU . 7.6 m80 -60.05 122.59 14.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 92' ' ' HIS . 0.7 OUTLIER 97.0 -15.44 0.07 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.97 179.474 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 90' ' ' LYS . 4.2 mt -78.39 -60.92 0.59 Allowed Pre-proline 0 C--N 1.329 -0.291 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.528 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.608 ' O ' ' CB ' ' A' ' 96' ' ' SER . 57.4 Cg_endo -77.38 -87.2 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.354 2.036 . . . . 0.0 112.933 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.608 ' CB ' ' O ' ' A' ' 95' ' ' PRO . 13.3 t 109.69 42.57 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.336 0.654 . . . . 0.0 110.337 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.48 ' CG ' ' HD2' ' A' ' 98' ' ' PRO . 0.1 OUTLIER -134.99 168.22 18.86 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.637 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.48 ' C ' ' CD ' ' A' ' 100' ' ' PRO . 55.4 Cg_endo -68.3 -176.07 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.357 2.038 . . . . 0.0 111.564 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.448 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 59.8 Cg_endo -102.8 37.94 0.05 OUTLIER 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.363 2.709 . . . . 0.0 115.19 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.48 ' CD ' ' C ' ' A' ' 98' ' ' PRO . 84.8 Cg_endo -81.44 152.42 17.83 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.022 1.815 . . . . 0.0 111.813 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.2 p -169.97 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.03 -5.92 56.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.316 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -159.0 -58.8 0.07 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.07 -179.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 3' ' ' LEU . 1.7 mt 99.35 115.07 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.569 0.748 . . . . 0.0 110.343 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' HA ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.13 -29.37 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.554 -178.189 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.94 82.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.349 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 11' ' ' ILE . 65.1 t30 -67.84 -46.52 71.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' CG ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -68.41 -39.68 81.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.86 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.528 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 52' ' ' TYR . 1.3 mm? -62.38 -45.78 91.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.43 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 7' ' ' ASN . 16.0 mt -62.96 -51.59 70.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.531 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -67.47 -36.91 82.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.563 0.22 . . . . 0.0 111.222 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.664 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -64.96 -44.65 88.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.967 0.413 . . . . 0.0 110.512 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.18 -34.42 75.54 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.118 -1.039 . . . . 0.0 111.288 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.634 HD11 ' HG3' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -71.75 -40.5 69.31 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 121.236 -0.186 . . . . 0.0 110.656 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.883 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -65.87 -43.3 88.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.835 0.35 . . . . 0.0 110.142 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -40.86 96.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.985 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.826 ' CD2' HD11 ' A' ' 22' ' ' LEU . 7.8 t80 -59.11 -49.09 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.809 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -42.55 90.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.462 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.7 t -63.02 -35.64 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.06 0.457 . . . . 0.0 110.467 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.027 HD11 ' CH2' ' A' ' 44' ' ' TRP . 1.1 tp -72.54 -45.42 59.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.469 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.826 HD11 ' CD2' ' A' ' 18' ' ' PHE . 26.3 mt -63.08 -35.27 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.734 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -6.38 57.13 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -97.22 48.55 1.04 Allowed 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.605 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 1.8 mp0 -110.96 176.62 4.95 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 26' ' ' VAL . 19.5 t -93.34 50.06 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 60.6 m-85 -63.54 85.62 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.748 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -159.12 -53.93 0.06 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.969 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB3' ' CG ' ' A' ' 97' ' ' HIS . 3.4 p-10 -125.79 92.08 3.53 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.256 0.55 . . . . 0.0 111.611 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.02 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . . . -73.32 166.11 23.79 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -177.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.73 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 4.0 mm? 118.2 71.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.287 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 31' ' ' LEU . 4.3 p 144.58 -52.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 122.977 0.511 . . . . 0.0 111.348 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 37' ' ' MET . 39.0 m -55.33 -21.76 16.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.313 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.623 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.62 -48.27 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.216 -179.341 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -72.99 -53.23 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.294 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.942 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.7 t70 -57.38 -52.21 66.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.47 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.548 ' HB2' ' O ' ' A' ' 33' ' ' SER . 4.0 ttm -57.72 -42.56 84.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.753 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' GLU . 2.4 t -56.68 -45.2 82.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.77 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.13 -37.39 78.29 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 121.074 0.464 . . . . 0.0 110.023 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 36' ' ' ASP . 47.0 t -58.59 -51.59 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.717 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.06 -45.09 96.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.448 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.73 -41.74 98.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.674 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -48.01 70.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.77 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.027 ' CH2' HD11 ' A' ' 21' ' ' LEU . 24.7 m0 -58.75 -48.63 80.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.568 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 31.3 ttm -57.01 -48.08 79.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -61.23 -42.75 99.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -61.92 -34.48 76.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.015 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -72.24 -46.55 55.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.53 -49.94 78.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.045 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -64.72 -47.0 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -60.11 -49.41 77.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.606 ' CE1' HD12 ' A' ' 10' ' ' LEU . 2.9 m-85 -63.22 -31.89 73.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.66 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.77 -37.82 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.784 179.513 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -87.84 -21.75 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.81 31.43 0.96 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.804 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.767 HG11 ' HB2' ' A' ' 63' ' ' ARG . 21.4 t -66.97 -111.8 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 56' ' ' VAL . 21.9 p 126.61 -33.91 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.281 1.032 . . . . 0.0 110.855 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.77 -178.16 42.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.113 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.526 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.5 mp0 -72.26 172.61 7.03 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 122.239 0.216 . . . . 0.0 110.993 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.1 Cg_endo -44.99 -35.75 10.52 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.739 2.293 . . . . 0.0 112.623 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -70.97 -48.18 54.78 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -33.03 73.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.285 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.767 ' HB2' HG11 ' A' ' 56' ' ' VAL . 24.3 ttm180 -74.36 -55.66 5.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.924 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.76 -36.83 72.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.165 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -72.92 -47.13 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.15 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.6 98.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.771 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 63' ' ' ARG . 3.4 mm? -67.73 -41.74 83.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.204 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -69.83 -31.99 70.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.777 0.322 . . . . 0.0 110.759 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -71.69 -36.73 70.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.113 0.482 . . . . 0.0 110.193 179.417 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 HD11 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -65.82 -51.54 58.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.688 178.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -57.62 -43.66 84.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.576 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 6.1 pt20 -64.38 -39.46 93.9 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.59 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.634 ' HG3' HD11 ' A' ' 15' ' ' LEU . 45.1 mm-40 -64.83 -41.92 95.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.522 HD11 HD12 ' A' ' 70' ' ' LEU . 80.1 mt -65.71 -45.09 84.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.0 -35.92 82.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.014 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.496 HG23 HD23 ' A' ' 77' ' ' LEU . 1.6 t -80.04 -25.46 40.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.349 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.496 HD23 HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -80.29 -43.84 20.6 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 179.263 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.8 -19.64 57.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.574 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -58.85 -54.47 56.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.059 -178.607 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 32.2 Cg_endo -65.2 -32.12 52.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 121.931 1.754 . . . . 0.0 112.041 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.72 ' HD2' HD22 ' A' ' 22' ' ' LEU . 1.9 t80 -71.0 -42.31 69.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.99 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.657 ' O ' HD23 ' A' ' 82' ' ' LEU . 6.9 tt -71.42 -40.18 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.456 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' A' ' 86' ' ' ARG . . . -74.95 -33.25 61.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.101 0.477 . . . . 0.0 110.482 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -68.12 -39.74 82.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.135 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.436 ' O ' HD23 ' A' ' 89' ' ' LEU . 1.2 t80 -70.67 -47.84 57.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.461 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -57.45 -42.19 82.02 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.398 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -38.65 91.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.1 t80 -60.21 -51.23 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.421 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.788 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -74.33 -25.53 59.6 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 1.9 mptt -87.26 -34.13 19.03 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -74.96 -62.12 1.66 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 1.02 ' CE1' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -60.27 149.3 33.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.414 0.625 . . . . 0.0 112.453 -177.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -144.55 29.24 1.27 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.615 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.38 101.42 10.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 96' ' ' SER . 55.2 Cg_endo -70.73 168.2 23.5 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.577 2.185 . . . . 0.0 112.805 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 95' ' ' PRO . 6.0 t 100.13 88.34 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.479 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.602 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 0.4 OUTLIER 172.53 -54.88 0.0 OUTLIER Pre-proline 0 CA--C 1.53 0.181 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.18 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 97' ' ' HIS . 1.4 Cg_endo -42.71 171.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.068 2.512 . . . . 0.0 112.946 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 98' ' ' PRO . 4.9 Cg_endo -46.68 166.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.136 2.558 . . . . 0.0 112.772 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.13 119.82 5.47 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.758 2.305 . . . . 0.0 112.555 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.8 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.825 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.951 179.895 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.831 0.348 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -85.33 178.96 7.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.29 87.68 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.0 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 2' ' ' ALA . 11.8 mt -121.98 -3.59 9.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.87 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.69 -40.19 27.3 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.872 0.368 . . . . 0.0 111.152 -179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.07 -34.87 31.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -40.36 88.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.206 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -68.62 -31.12 70.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.466 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 13.5 t0 -65.85 -49.14 69.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.998 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.735 HD11 ' NE2' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -63.64 -44.02 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.947 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.646 HG22 HD13 ' A' ' 15' ' ' LEU . 63.3 mt -61.11 -50.63 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.505 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.6 t -58.95 -42.19 89.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.326 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.57 91.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 110.399 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.22 -33.81 83.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.658 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -67.85 -39.5 83.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.339 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 tttm -61.74 -53.12 60.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.232 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.53 -43.04 84.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.424 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -56.27 -44.22 79.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.191 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -66.93 -38.91 87.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.341 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 16' ' ' LYS . 3.6 t -62.59 -41.35 91.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.21 0.528 . . . . 0.0 110.232 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.963 HD11 ' CH2' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -74.44 -38.62 62.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.666 179.048 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -56.48 -36.58 69.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.478 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -98.68 -13.36 20.32 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 21' ' ' LEU . 5.3 pt20 -65.16 -2.06 2.64 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.71 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 46.3 mm-40 -76.23 176.53 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.182 -0.324 . . . . 0.0 110.448 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 m -102.47 50.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.71 ' CE2' ' HB2' ' A' ' 25' ' ' GLN . 94.0 m-85 -62.63 85.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.347 0.594 . . . . 0.0 111.432 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -134.56 -68.41 0.54 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.485 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.751 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -126.32 126.89 44.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.386 178.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' O ' ' CE1' ' A' ' 92' ' ' HIS . . . -72.56 94.86 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.296 0.57 . . . . 0.0 112.457 -177.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -140.75 45.59 1.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.227 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.721 HG13 ' H ' ' A' ' 33' ' ' SER . 1.1 p -133.41 -76.13 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.465 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.721 ' H ' HG13 ' A' ' 32' ' ' VAL . 0.9 OUTLIER 174.3 135.2 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.769 0.319 . . . . 0.0 110.753 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -74.77 -47.08 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.606 -179.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.15 -28.95 66.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.911 ' O ' HG23 ' A' ' 40' ' ' VAL . 19.3 m-20 -63.74 -55.45 23.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.474 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 40.0 tpp -57.88 -48.58 79.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 34' ' ' GLU . 64.0 t -56.62 -44.64 81.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.849 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.2 m -63.67 -33.26 75.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 36' ' ' ASP . 48.6 t -69.08 -41.11 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.703 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.537 HG22 ' CE2' ' A' ' 81' ' ' PHE . 24.2 t -59.51 -55.58 22.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.086 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 45' ' ' MET . 0.0 OUTLIER -61.9 -34.7 76.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.374 179.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -46.07 89.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.963 ' CH2' HD11 ' A' ' 21' ' ' LEU . 43.3 m0 -65.53 -49.02 70.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.681 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 27.5 ptm -57.72 -45.93 85.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.544 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.32 -40.15 89.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -66.28 -36.18 82.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -67.57 -46.53 72.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 74' ' ' LEU . 31.6 mm -60.22 -56.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.3 -35.92 70.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.431 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -73.48 -49.51 26.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 111.781 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.429 ' HA ' ' CG ' ' A' ' 55' ' ' GLN . 8.4 m-85 -60.02 -31.25 69.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.798 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.6 ttp180 -54.54 -31.93 57.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 111.236 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -77.6 -22.56 50.66 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.735 ' NE2' HD11 ' A' ' 10' ' ' LEU . 4.4 pt20 -96.78 28.4 3.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.032 0.444 . . . . 0.0 111.38 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.767 HG12 ' H ' ' A' ' 58' ' ' GLY . 48.5 t -81.27 -91.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.002 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.53 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 3.6 m 96.1 -16.79 0.08 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.964 0.506 . . . . 0.0 111.395 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.767 ' H ' HG12 ' A' ' 56' ' ' VAL . . . -83.16 177.95 53.0 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.13 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.4 mp0 -76.51 172.57 9.22 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 117.723 0.761 . . . . 0.0 110.794 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 1.6 Cg_endo -44.94 -32.17 6.13 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.834 2.356 . . . . 0.0 113.024 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 25.8 tt0 -73.34 -46.02 51.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.219 0.533 . . . . 0.0 109.741 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.71 -37.07 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.941 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.53 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -70.91 -54.12 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.943 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -35.58 81.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.377 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 9.6 tptm -68.16 -47.55 67.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.671 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.88 -52.29 45.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.267 0.556 . . . . 0.0 109.551 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 63' ' ' ARG . 4.4 mm? -55.96 -32.78 64.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.403 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -50.3 31.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.41 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -62.91 -33.43 75.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.99 179.408 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.464 HD12 HD11 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -63.61 -50.44 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.094 179.288 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -46.01 91.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.733 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -64.36 -38.48 91.2 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.373 -179.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB3' HD11 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -69.38 -41.53 76.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.712 0.291 . . . . 0.0 110.218 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.496 HD12 HD11 ' A' ' 49' ' ' ILE . 61.2 mt -60.37 -42.89 96.72 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -64.73 -35.49 81.24 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.9 m -68.81 -41.11 79.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.226 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -76.64 -37.81 55.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.263 0.554 . . . . 0.0 110.012 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.41 61.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.81 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.483 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -59.06 -57.5 26.65 Favored Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.361 -178.606 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -59.99 -31.3 93.35 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.034 1.823 . . . . 0.0 112.357 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CE2' HG22 ' A' ' 41' ' ' VAL . 1.2 t80 -67.54 -43.05 81.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.928 0.394 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -46.23 83.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.44 75.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.439 . . . . 0.0 110.018 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -61.96 -44.33 96.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.004 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 37' ' ' MET . 4.4 t80 -67.22 -38.17 84.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.57 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -61.57 -51.09 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.712 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.35 -37.1 86.3 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.308 0.575 . . . . 0.0 110.153 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -63.71 -40.78 97.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.581 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 34' ' ' GLU . 8.2 tp -74.3 -35.74 63.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.186 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 13.8 mmtp -68.48 -27.33 66.06 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.473 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.28 -40.82 62.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.412 ' CE1' ' O ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -60.16 173.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.238 -1.346 . . . . 0.0 109.415 179.297 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.06 24.84 1.96 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.755 0.312 . . . . 0.0 111.208 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.462 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 0.4 OUTLIER 43.47 98.69 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.359 179.511 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 94' ' ' LEU . 2.5 Cg_endo -45.42 111.6 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.565 2.177 . . . . 0.0 112.377 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 m 49.03 57.06 6.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.112 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.41 114.11 4.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -73.66 111.16 3.23 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.48 2.12 . . . . 0.0 112.263 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.67 110.93 3.2 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.549 2.166 . . . . 0.0 112.396 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.61 -177.97 3.96 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.487 2.125 . . . . 0.0 112.314 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.6 m 54.61 67.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.998 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.893 0.377 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 3' ' ' LEU . . . -83.24 -139.94 0.05 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.557 ' C ' HD12 ' A' ' 3' ' ' LEU . 1.1 tp 159.54 80.5 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.515 0.326 . . . . 0.0 110.331 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.686 ' CD2' ' HB3' ' A' ' 6' ' ' ALA . 0.5 OUTLIER 96.61 91.34 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.154 0.582 . . . . 0.0 109.852 -178.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -25.26 1.6 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.357 -178.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.686 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . . . -54.81 -44.8 74.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.216 0.531 . . . . 0.0 111.072 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.659 ' HA ' HD12 ' A' ' 10' ' ' LEU . 25.3 p30 -72.17 -34.19 68.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.351 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.487 ' HA ' HG22 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -69.43 -29.5 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.379 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.12 -43.64 56.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.698 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -79.05 -33.91 44.26 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.554 179.162 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.552 ' O ' HD13 ' A' ' 15' ' ' LEU . 4.7 tt -64.62 -52.04 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.558 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.507 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 74.2 p -66.67 -36.95 83.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.535 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.651 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . -65.63 -46.07 80.67 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.65 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -69.15 -31.85 72.29 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.504 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD21 ' HB3' ' A' ' 73' ' ' GLU . 5.1 mp -73.88 -40.32 63.29 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.799 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.802 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -63.47 -53.11 57.3 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 2.2 tp10 -57.8 -41.62 82.53 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.016 0.436 . . . . 0.0 109.92 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.778 ' CE2' HD13 ' A' ' 22' ' ' LEU . 33.5 t80 -57.97 -45.16 87.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.353 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 57.6 p -66.2 -39.17 89.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.714 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -66.72 -38.96 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.211 0.529 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.964 HD13 ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -76.95 -41.23 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.575 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.964 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -72.57 -42.29 64.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 19' ' ' SER . 1.4 t-20 -69.64 -28.68 66.1 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.19 6.32 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 1.4 mp0 -70.98 146.88 49.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.0 m -84.99 127.11 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.322 . . . . 0.0 111.834 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' ' CD2' ' A' ' 85' ' ' TYR . 19.2 m-85 -132.2 85.42 2.24 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.306 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -141.23 -55.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.295 0.569 . . . . 0.0 109.54 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -126.17 110.16 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.418 178.487 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.16 142.65 49.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.904 0.859 . . . . 0.0 113.21 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.783 HD22 ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -174.91 -28.34 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.293 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.783 ' N ' HD22 ' A' ' 31' ' ' LEU . 7.6 p -55.17 -18.6 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 1.1 t 85.55 154.94 0.08 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.953 0.406 . . . . 0.0 110.709 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.789 ' O ' HG23 ' A' ' 38' ' ' VAL . 27.8 tt0 -72.55 -47.14 50.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.517 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -34.47 75.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.719 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.84 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -63.31 -56.21 18.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 110.451 179.802 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.552 ' HG3' ' CE2' ' A' ' 85' ' ' TYR . 1.1 tmt? -60.25 -44.45 95.24 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 34' ' ' GLU . 75.8 t -56.52 -44.39 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.389 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.4 m -66.55 -29.66 69.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.504 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 36' ' ' ASP . 60.1 t -65.36 -52.21 54.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.207 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.2 t -66.0 -35.83 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.608 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -43.04 85.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.497 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.513 ' OD2' ' HA ' ' A' ' 40' ' ' VAL . 3.6 p30 -68.98 -40.07 79.04 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.096 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.677 ' CZ2' HD21 ' A' ' 21' ' ' LEU . 48.8 m0 -62.71 -48.76 77.84 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.01 0.433 . . . . 0.0 110.369 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.569 ' HG3' HD13 ' A' ' 74' ' ' LEU . 21.1 ttm -59.62 -43.11 93.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.653 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.407 ' O ' HG22 ' A' ' 49' ' ' ILE . 3.3 m-80 -66.85 -40.53 87.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.86 0.362 . . . . 0.0 110.66 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -66.87 -44.85 79.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.261 0.553 . . . . 0.0 109.72 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -64.14 -49.27 72.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.536 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.001 HD12 HD23 ' A' ' 70' ' ' LEU . 1.1 tp -60.64 -43.71 95.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.974 0.416 . . . . 0.0 110.722 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' N ' ' CG2' ' A' ' 49' ' ' ILE . 8.1 m120 -66.28 -26.4 67.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -79.66 -40.21 29.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 111.435 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CD2' HD11 ' A' ' 70' ' ' LEU . 11.3 m-85 -80.74 -29.97 36.25 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.797 ' HB3' HD11 ' A' ' 67' ' ' LEU . 4.3 ptm85 -59.92 -36.88 77.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.163 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -78.9 0.13 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.639 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.54 28.9 8.38 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.14 0.495 . . . . 0.0 110.232 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 53' ' ' ARG . 16.8 t -91.68 -90.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.845 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.61 ' O ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER 40.51 116.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 179.403 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 59' ' ' GLU . . . 148.43 -8.33 1.02 Allowed Glycine 0 CA--C 1.523 0.551 0 C-N-CA 120.05 -1.072 . . . . 0.0 113.283 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.501 ' CG ' ' HB2' ' A' ' 62' ' ' GLU . 4.5 pt-20 149.42 144.0 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 123.219 0.607 . . . . 0.0 110.979 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.62 -37.03 98.29 Favored 'Trans proline' 0 CA--C 1.514 -0.524 0 C-N-CA 122.342 2.028 . . . . 0.0 110.627 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.571 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -63.78 -29.95 71.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.413 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.501 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -71.74 -45.2 62.47 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.023 178.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.733 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -66.14 -54.99 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.101 179.433 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -57.42 -42.15 81.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.978 -179.121 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -77.24 -43.01 35.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.0 111.678 -179.543 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -64.97 -42.71 94.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.929 0.395 . . . . 0.0 111.234 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 53' ' ' ARG . 4.3 mm? -76.43 -35.4 58.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 2.2 tp-100 -71.42 -41.9 68.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.378 . . . . 0.0 110.101 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 2.8 tp10 -66.06 -40.61 91.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.69 179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.001 HD23 HD12 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -62.26 -51.55 67.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.091 179.097 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -60.69 -32.75 71.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.526 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 76' ' ' THR . 4.0 tp-100 -69.41 -46.73 66.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.255 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.723 ' HB3' HD21 ' A' ' 15' ' ' LEU . 5.4 mm-40 -61.21 -44.49 97.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.236 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD13 ' HG3' ' A' ' 45' ' ' MET . 12.1 mt -63.94 -45.3 89.81 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.238 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -62.57 -36.13 81.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.967 0.413 . . . . 0.0 110.016 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 72' ' ' GLN . 22.9 p -72.21 -34.05 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.46 -40.87 28.81 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.125 0.488 . . . . 0.0 110.226 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.61 -15.06 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.544 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.454 ' CB ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -59.0 -64.2 3.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.629 -178.755 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 79' ' ' ASN . 53.8 Cg_endo -68.66 -19.82 41.28 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.225 1.95 . . . . 0.0 112.113 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.77 ' CG ' HD21 ' A' ' 22' ' ' LEU . 7.1 t80 -73.99 -50.6 19.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.526 HD11 HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -62.15 -38.47 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.057 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.21 -43.67 77.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.504 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -42.91 88.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.738 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.783 ' OH ' HG11 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -72.69 -48.92 35.05 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.259 -179.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HA ' HD21 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -58.55 -41.65 86.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.969 0.414 . . . . 0.0 110.642 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 91' ' ' SER . 0.7 OUTLIER -71.87 -32.55 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.176 179.456 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 2.0 t80 -71.12 -42.96 68.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 86' ' ' ARG . 2.7 pp -74.26 -35.14 63.78 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 -14.43 34.52 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 9.0 t -75.36 -37.83 60.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -84.35 112.04 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.76 88.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.949 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.792 ' N ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -35.64 153.18 0.07 OUTLIER Pre-proline 0 N--CA 1.465 0.279 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.908 -179.469 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.17 144.51 63.27 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.814 2.342 . . . . 0.0 112.773 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.66 142.91 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.347 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.498 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 86.5 m-70 -122.02 44.81 0.87 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.722 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.606 ' HG2' ' HD3' ' A' ' 99' ' ' PRO . 12.5 Cg_endo -64.39 -37.86 37.14 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 121.893 1.728 . . . . 0.0 113.511 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.606 ' HD3' ' HG2' ' A' ' 98' ' ' PRO . 73.4 Cg_endo -75.3 170.48 20.23 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.884 1.722 . . . . 0.0 112.568 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.5 -166.57 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.777 2.318 . . . . 0.0 112.377 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.0 t 65.45 71.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.1 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.866 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.877 0.37 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.708 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -117.0 111.63 19.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.089 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.445 ' HG ' ' C ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER 33.96 -72.05 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 179.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.037 HD11 ' HB3' ' A' ' 6' ' ' ALA . 9.1 tp 61.91 77.81 0.31 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.01 0.433 . . . . 0.0 110.04 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -30.32 5.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.037 ' HB3' HD11 ' A' ' 4' ' ' LEU . . . -50.67 -30.65 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.446 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 8' ' ' LYS . 23.2 p-10 -66.82 -46.61 74.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.112 0.482 . . . . 0.0 109.972 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 4.4 ttmm -67.22 -36.6 82.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.862 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.44 -37.3 83.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.677 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.543 HD11 ' CE1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -67.2 -45.58 76.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.497 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.642 HD11 ' HB1' ' A' ' 66' ' ' ALA . 30.7 mm -62.6 -51.33 73.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.738 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -40.26 90.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.687 0.28 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.87 95.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 110.181 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.28 91.38 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.242 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.816 HD21 ' CD ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -66.9 -39.51 87.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.565 179.327 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.753 ' O ' HG23 ' A' ' 20' ' ' VAL . 15.0 tttp -70.67 -53.08 17.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.91 -40.73 63.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.21 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CZ ' HD22 ' A' ' 74' ' ' LEU . 5.7 t80 -64.23 -47.79 78.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.784 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 p -55.25 -39.87 70.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.821 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 16' ' ' LYS . 2.6 t -70.68 -35.68 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.246 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.487 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 22.9 tp -60.61 -49.28 78.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.364 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.747 HD22 ' CD2' ' A' ' 81' ' ' PHE . 14.7 mt -69.83 -40.74 75.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.644 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.4 -40.38 89.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.716 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.538 HE21 HG12 ' A' ' 20' ' ' VAL . 3.3 pt20 -78.0 27.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.78 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 8.5 tp60 -89.75 156.13 18.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 110.305 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.0 t -63.38 112.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 70.4 m-85 -140.06 85.3 2.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.222 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.45 ' N ' ' CE2' ' A' ' 88' ' ' PHE . 5.2 m-80 -156.82 -62.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.05 0.452 . . . . 0.0 110.673 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.486 ' O ' HD23 ' A' ' 31' ' ' LEU . 12.3 t70 -126.27 99.55 5.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.238 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . . . -70.98 100.79 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.095 0.95 . . . . 0.0 112.727 -176.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.517 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.4 pt? -130.75 37.55 3.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.145 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.498 HG22 ' N ' ' A' ' 33' ' ' SER . 7.2 p -142.61 158.52 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.498 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -65.32 151.74 45.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.771 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.718 ' O ' HG23 ' A' ' 38' ' ' VAL . 6.6 tp10 -74.03 -47.03 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -60.38 -28.99 68.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.349 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.861 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -61.27 -56.36 21.37 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.71 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.516 ' O ' HG23 ' A' ' 41' ' ' VAL . 13.9 tmm? -58.26 -46.59 85.7 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 34' ' ' GLU . 60.6 t -56.56 -44.69 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.273 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.8 m -63.22 -38.01 89.5 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.161 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 36' ' ' ASP . 21.5 t -60.65 -41.04 86.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.011 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.549 HG22 ' CE2' ' A' ' 81' ' ' PHE . 27.1 t -65.89 -51.75 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.55 -42.7 97.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.577 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.58 -48.15 76.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.487 ' CZ3' HD11 ' A' ' 21' ' ' LEU . 17.7 m0 -59.83 -49.11 78.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.007 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.491 ' O ' HD12 ' A' ' 49' ' ' ILE . 26.6 ttp -56.67 -49.0 76.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 111.225 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -60.41 -43.38 96.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.11 -31.8 73.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.263 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -51.69 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.714 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 45' ' ' MET . 2.1 mp -56.23 -42.29 72.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.804 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.74 -39.86 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.943 0.401 . . . . 0.0 110.94 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -72.55 -33.17 66.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.894 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.855 ' CD2' HD21 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -76.63 -42.94 40.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.581 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' A' ' 54' ' ' GLN . 5.1 ptm180 -51.93 -33.91 39.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.736 0.303 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' HG3' ' NH1' ' A' ' 53' ' ' ARG . 2.0 mt-30 -81.8 -18.88 42.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.316 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -91.76 28.65 1.73 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.475 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG11 ' HG3' ' A' ' 63' ' ' ARG . 6.7 t -111.81 139.48 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.029 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.07 -1.31 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.473 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.64 169.96 45.58 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.342 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HB2' ' HD2' ' A' ' 60' ' ' PRO . 2.3 pt-20 -61.31 162.12 15.45 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 59' ' ' GLU . 7.5 Cg_endo -49.26 -29.3 16.77 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.858 2.372 . . . . 0.0 112.4 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.29 -45.93 52.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.038 0.446 . . . . 0.0 110.074 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -72.58 -33.45 66.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.489 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.547 ' HG3' HG11 ' A' ' 56' ' ' VAL . 25.8 ttp85 -67.81 -52.5 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.507 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.07 -42.41 96.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -58.92 -47.24 85.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.642 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -71.22 -26.64 63.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.708 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 63' ' ' ARG . 1.6 mm? -74.79 -39.75 61.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.247 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.81 -41.93 77.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.232 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.56 -41.37 96.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.02 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.855 HD21 ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -59.09 -48.33 82.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.306 179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -57.52 -48.39 79.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.669 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 3.0 tp-100 -58.71 -47.82 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 0.0 110.815 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.816 ' CD ' HD21 ' A' ' 15' ' ' LEU . 11.7 mm-40 -64.39 -23.76 67.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.034 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.458 HD22 ' CZ ' ' A' ' 18' ' ' PHE . 61.4 mt -78.57 -46.37 19.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.872 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -67.51 -27.15 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.884 179.135 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.613 HG22 ' HA ' ' A' ' 73' ' ' GLU . 1.7 t -84.67 -27.92 26.76 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.985 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 5.4 mt -86.27 -32.19 21.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 110.094 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.612 ' HA ' HD13 ' A' ' 22' ' ' LEU . . . -81.71 -24.65 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.556 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.577 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -58.15 -48.02 97.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.844 -177.29 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 29.8 Cg_endo -64.76 -29.42 59.44 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 121.537 1.491 . . . . 0.0 111.546 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.747 ' CD2' HD22 ' A' ' 22' ' ' LEU . 1.3 t80 -68.48 -44.58 74.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.157 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.662 ' C ' HD23 ' A' ' 82' ' ' LEU . 6.5 tt -65.57 -43.48 89.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.198 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.56 -31.46 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.945 0.403 . . . . 0.0 110.511 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 11.2 ttmm -67.0 -40.05 87.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.84 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.497 ' CG ' ' HE2' ' A' ' 37' ' ' MET . 1.1 t80 -75.87 -35.07 60.0 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -63.69 -44.64 93.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 2.1 t70 -68.92 -39.4 79.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.77 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.874 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 62.2 t80 -63.46 -44.86 93.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.987 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 34' ' ' GLU . 6.5 tp -74.43 -35.96 63.41 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -22.44 45.61 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 t -86.85 -49.96 7.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.98 0.419 . . . . 0.0 111.223 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -59.72 112.79 1.95 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.69 0.757 . . . . 0.0 112.747 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.624 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 3.8 tt0 -130.12 -174.25 3.27 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.487 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -94.63 100.49 5.36 Favored Pre-proline 0 N--CA 1.463 0.205 0 CA-C-O 120.721 0.296 . . . . 0.0 111.334 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.624 ' HD3' ' O ' ' A' ' 93' ' ' GLU . 91.4 Cg_endo -100.85 70.11 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 123.263 2.642 . . . . 0.0 112.26 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.479 ' HB2' ' HD3' ' A' ' 98' ' ' PRO . 1.8 m 78.14 -60.02 0.42 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.744 0.307 . . . . 0.0 110.826 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.45 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 7.4 m80 62.95 49.81 1.22 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.307 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.536 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 1.2 Cg_endo -45.29 -54.34 4.47 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.973 2.448 . . . . 0.0 112.95 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 98' ' ' PRO . 19.5 Cg_endo -58.67 161.21 15.39 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.341 2.027 . . . . 0.0 112.589 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' HB2' ' H ' ' A' ' 101' ' ' SER . 66.9 Cg_endo -83.04 -139.85 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.026 2.484 . . . . 0.0 112.235 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' A' ' 100' ' ' PRO . 63.0 p -118.4 90.92 3.43 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.757 0.313 . . . . 0.0 110.782 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.86 -179.929 . . . . . . . . 0 0 . 1 stop_ save_