data_2my2_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 2my2 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.906 0.384 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -135.91 144.78 45.7 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 pt -129.51 146.44 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 121.055 0.455 . . . . 0.0 110.483 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -92.82 129.98 38.57 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.848 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.5 mt -116.31 120.95 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.828 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.6 169.73 20.69 Favored Glycine 0 N--CA 1.472 1.045 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 35.3 t-20 61.36 44.29 9.74 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.98 0.419 . . . . 0.0 110.533 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 156.33 17.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.275 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.5 143.51 57.86 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.934 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -64.75 -40.28 95.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -73.82 -11.18 60.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.7 122.05 12.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.348 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -106.05 179.16 4.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.53 -39.35 90.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.15 -44.42 97.38 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.59 -43.08 98.01 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.736 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.94 -44.95 99.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.403 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 32' ' ' SER . 21.9 mt -60.46 -43.85 96.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.592 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.4 m -63.49 -42.64 98.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.857 0.36 . . . . 0.0 111.002 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.68 -49.5 84.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.171 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -86.76 -12.79 47.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.828 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.8 t -43.63 -56.87 3.47 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -68.92 -39.49 79.62 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.096 0.474 . . . . 0.0 111.695 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.443 ' O ' ' OH ' ' A' ' 59' ' ' TYR . 31.5 m-85 -78.94 33.35 0.22 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.6 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 59' ' ' TYR . . . 98.11 71.27 1.02 Allowed Glycine 0 C--N 1.34 0.802 0 C-N-CA 119.574 -1.298 . . . . 0.0 111.904 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.88 126.92 73.81 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.043 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 74.2 Cg_endo -76.8 161.12 33.75 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 123.278 2.652 . . . . 0.0 112.037 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.5 m -94.96 -8.16 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -160.89 143.73 12.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.743 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.14 126.38 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.426 HD12 HG22 ' A' ' 41' ' ' ILE . 80.1 mt -110.03 126.6 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.591 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.1 mt -118.11 124.99 49.39 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.944 0.402 . . . . 0.0 110.606 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.9 m -73.16 139.59 46.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.622 179.715 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.441 ' O ' ' CD1' ' A' ' 54' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 53' ' ' GLY . 5.5 m-85 -150.47 144.23 25.26 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.371 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.82 147.53 24.34 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.606 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 56' ' ' TYR . 2.6 m-85 -141.53 136.95 31.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.193 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.66 146.49 50.54 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 17.8 ttmm -88.12 129.09 35.41 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 110.905 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -96.67 142.17 29.03 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.351 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.61 -41.63 97.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.944 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -123.06 135.62 54.49 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.926 0.393 . . . . 0.0 110.515 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.452 ' OE1' ' N ' ' A' ' 62' ' ' GLN . 10.1 pm0 -69.81 -23.94 63.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -80.78 -29.37 36.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.945 0.402 . . . . 0.0 110.437 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.4 m -67.6 -23.95 65.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.544 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.9 p -60.17 -27.37 67.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.39 -40.14 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.449 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 38.7 mt -56.33 -60.33 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.638 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.81 77.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.027 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 78.0 t -60.0 -65.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.303 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.26 -16.45 62.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 98.5 m-20 -90.55 -51.02 5.61 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 3.9 mm? -90.8 8.08 36.56 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.407 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 8.2 t-20 -78.61 109.67 13.03 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.12 1.88 90.2 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.543 ' CZ ' ' O ' ' B' ' 325' ' ' SER . 47.3 t80 -70.19 134.44 48.09 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -89.13 128.74 35.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.013 0.435 . . . . 0.0 111.786 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.433 HD12 HG22 ' A' ' 77' ' ' ILE . 19.5 mt -141.59 110.64 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.08 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 20.26 79.55 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.61 10.33 73.43 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -126.91 130.76 50.76 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.015 0.436 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.541 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -82.6 126.14 31.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.8 142.8 48.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -120.01 102.67 8.71 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.14 136.2 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.122 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -154.24 153.51 31.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -75.43 141.03 43.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.1 p -91.19 178.49 5.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.748 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -145.17 -5.6 0.68 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.74 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 28.0 p90 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.456 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.173 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.32 72.56 7.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.399 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.91 125.11 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.074 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 6.1 ptp -67.16 148.27 98.84 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.34 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.7 162.46 41.17 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 123.011 2.474 . . . . 0.0 112.217 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -118.98 168.16 13.27 Favored Glycine 0 N--CA 1.469 0.834 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 75.5 m -61.85 -36.69 81.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.938 0.399 . . . . 0.0 110.473 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -54.46 -25.33 24.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.699 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.671 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.1 t90 -60.67 -8.5 2.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.131 0.491 . . . . 0.0 111.483 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 11.1 t70 62.48 -22.61 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.671 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 88.74 17.21 57.05 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.502 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 25.1 m -74.29 152.94 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -68.81 124.32 23.36 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.834 0.349 . . . . 0.0 111.213 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -138.47 110.03 7.04 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 325' ' ' SER . . . . . 0.543 ' O ' ' CZ ' ' A' ' 75' ' ' PHE . 57.9 m . . . . . 0 N--CA 1.469 0.485 0 CA-C-O 120.921 0.391 . . . . 0.0 110.739 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.952 0.406 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -56.83 -20.75 24.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.635 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -49.05 -24.73 1.69 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -56.74 -30.62 63.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -61.61 -47.12 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.89 -39.78 93.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.403 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.93 98.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.652 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -61.84 -40.78 96.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.755 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -64.38 -42.1 96.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.32 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.01 -30.16 66.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.464 0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.689 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.827 0.346 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 87' ' ' THR . 76.3 m-85 -120.31 152.07 38.33 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 pt -115.24 137.59 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.144 0.497 . . . . 0.0 110.121 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -82.14 116.82 21.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.178 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.7 mt -108.79 97.73 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.21 173.42 30.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 50.25 39.29 19.58 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.752 0.311 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt -86.26 127.51 34.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -67.3 129.19 39.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.385 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -66.46 -23.31 66.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.59 -30.44 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 7.7 mp -76.85 138.02 39.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.548 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.435 ' HG1' ' H ' ' A' ' 24' ' ' GLU . 8.9 t -107.1 -170.46 1.71 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.435 ' H ' ' HG1' ' A' ' 23' ' ' THR . 4.1 mm-40 -59.96 -43.62 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.685 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.71 -41.2 99.57 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.27 -44.98 95.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 110.943 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.55 -42.49 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.366 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' SER . 28.4 mt -61.32 -46.15 91.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -63.9 -39.37 94.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.993 0.425 . . . . 0.0 110.672 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.38 -50.15 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.266 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -86.4 -12.9 47.89 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.666 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.4 m -42.08 -56.31 2.89 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.59 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -68.32 -37.76 80.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 111.201 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.41 ' CZ ' ' ND2' ' A' ' 71' ' ' ASN . 54.3 m-85 -83.95 35.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.591 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.51 71.16 0.97 Allowed Glycine 0 N--CA 1.468 0.782 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.596 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 12.8 p -53.2 107.29 0.81 Allowed Pre-proline 0 CA--C 1.535 0.366 0 CA-C-O 121.241 0.544 . . . . 0.0 110.758 -177.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -60.28 155.3 46.94 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 123.056 2.504 . . . . 0.0 112.312 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.455 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 23.8 m -94.81 -25.93 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.042 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 38' ' ' VAL . 90.6 m-20 -145.72 136.84 24.73 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -127.3 129.06 70.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.726 0.298 . . . . 0.0 110.416 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.41 HG23 HD11 ' A' ' 41' ' ' ILE . 95.6 mt -100.78 124.56 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.716 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -103.16 108.38 19.55 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.153 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.534 ' OG ' ' CE2' ' A' ' 54' ' ' PHE . 83.5 p -69.6 155.3 40.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.566 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.734 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 46.9 p90 -158.01 158.86 35.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.669 0.271 . . . . 0.0 110.559 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.66 167.24 30.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.568 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -130.67 128.47 40.98 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.797 0.332 . . . . 0.0 110.745 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -132.27 146.62 52.12 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.491 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -129.35 143.03 50.68 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.746 0.308 . . . . 0.0 111.106 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 42.2 t80 -117.88 167.84 11.04 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.666 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.566 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 45.5 tp10 -59.92 -42.99 95.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.529 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -104.89 113.19 26.63 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.95 0.405 . . . . 0.0 110.63 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' O ' ' OG1' ' A' ' 65' ' ' THR . 23.8 tm0? -63.66 -33.25 75.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -58.62 -29.44 66.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.713 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.1 m -60.6 -25.53 66.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.794 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 75.5 p -62.37 -25.34 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.51 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.69 -39.03 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.37 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.69 -49.22 73.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.721 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.53 94.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.12 -32.04 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.782 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -91.51 -13.97 31.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.221 -0.299 . . . . 0.0 111.567 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.41 ' ND2' ' CZ ' ' A' ' 34' ' ' TYR . 40.7 t30 -118.36 -55.02 2.26 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 7.1 mp -90.06 21.47 3.69 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -85.51 108.06 17.75 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.261 -0.274 . . . . 0.0 110.561 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.64 2.81 70.65 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -63.66 126.56 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.688 0.28 . . . . 0.0 110.634 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -69.42 115.22 8.44 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.793 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 80' ' ' ARG . 16.2 tt -142.46 132.47 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.12 19.88 78.75 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.38 74.61 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' ILE . 97.2 mtt180 -136.84 153.71 50.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.832 0.348 . . . . 0.0 110.664 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.06 129.52 38.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.424 ' CD1' ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -87.06 148.9 25.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.088 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -103.4 119.53 39.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.353 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.444 HG22 HD11 ' A' ' 84' ' ' ILE . 21.6 mm -104.36 116.92 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.85 0.357 . . . . 0.0 110.287 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -143.93 161.39 38.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.432 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -88.86 131.77 34.96 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.37 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 12' ' ' TYR . 6.7 t -138.92 143.87 38.84 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -127.45 42.21 3.37 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.023 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 120.695 0.284 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -125.77 49.12 1.98 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.82 0.343 . . . . 0.0 111.109 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 33.2 mm -80.27 127.62 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.04 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -89.14 118.54 69.28 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.107 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.74 147.26 32.18 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 123.256 2.637 . . . . 0.0 111.999 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -118.32 162.94 13.08 Favored Glycine 0 N--CA 1.469 0.874 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 67.9 m -60.74 -36.93 80.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.148 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -53.95 -22.01 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.36 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.585 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.6 t90 -61.87 -23.15 66.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.305 0.574 . . . . 0.0 111.473 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 20.2 t0 65.22 -11.29 0.16 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.731 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 81.13 18.95 68.16 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.29 150.57 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 O-C-N 122.711 -0.288 . . . . 0.0 110.442 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -81.8 133.23 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.824 0.345 . . . . 0.0 110.662 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . 0.802 ' HE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -139.81 142.53 36.66 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.848 0.356 . . . . 0.0 110.167 -179.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.499 179.339 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.426 ' CE2' ' NZ ' ' B' ' 331' ' ' LYS . 72.4 t80 . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 120.804 0.335 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.31 -19.73 62.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.032 0.444 . . . . 0.0 110.777 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -47.99 -35.67 11.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.426 ' NZ ' ' CE2' ' B' ' 328' ' ' PHE . 63.8 pttt -57.53 -37.46 73.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.986 0.422 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -65.71 -45.46 82.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.349 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -45.93 88.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.138 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.27 93.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.456 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -57.77 -44.21 86.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.17 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.78 -37.75 88.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.574 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -89.03 -3.37 58.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.757 0.313 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 89' ' ' TYR . 38.5 m-85 -131.11 149.45 52.59 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.458 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -110.94 119.32 59.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -85.36 117.7 24.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.9 mt -114.29 128.81 71.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -142.03 172.79 23.98 Favored Glycine 0 N--CA 1.465 0.62 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 64.99 37.85 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.784 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.02 149.24 24.45 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.059 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -70.24 139.29 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.341 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.91 -17.95 63.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.229 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -64.93 -24.43 67.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.22 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.0 mt -85.76 139.1 31.6 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.325 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.1 p -106.01 -173.38 2.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.02 -41.27 96.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.455 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.5 -41.07 99.36 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.73 -42.82 99.85 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.822 0.344 . . . . 0.0 110.799 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -62.63 -44.23 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.076 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.9 mt -56.95 -48.0 79.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.246 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 79.7 m -60.91 -43.25 98.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 111.364 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.19 -47.23 94.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -85.54 -13.58 48.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.433 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' LEU . 27.7 t -47.55 -56.26 7.49 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -177.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -68.53 -25.42 64.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.912 0.387 . . . . 0.0 111.314 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -96.85 35.1 1.59 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.746 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' CE1' ' A' ' 59' ' ' TYR . . . 100.09 68.21 0.86 Allowed Glycine 0 C--N 1.342 0.869 0 C-N-CA 119.512 -1.328 . . . . 0.0 111.965 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 36' ' ' VAL . 7.2 p -58.05 119.34 33.72 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.99 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.4 159.09 43.85 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 123.058 2.506 . . . . 0.0 112.374 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.3 m -91.8 -16.75 7.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.2 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 58.3 t0 -172.78 139.83 0.92 Allowed 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.773 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 10.5 m -129.25 149.59 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -112.73 125.68 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mp -110.26 101.55 10.29 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.24 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.7 t -70.97 136.04 48.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.451 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 . . . . . 0 N--CA 1.469 0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.733 179.822 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -155.01 151.23 28.2 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.262 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.64 163.98 37.69 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -110.55 134.12 52.68 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.886 0.374 . . . . 0.0 110.494 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.36 145.29 37.77 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -131.07 108.23 9.62 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.363 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.45 ' CD2' ' OG ' ' A' ' 64' ' ' SER . 45.1 t80 -106.95 155.58 19.63 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -60.57 -42.05 95.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.733 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -107.72 156.33 19.21 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.322 0.582 . . . . 0.0 111.337 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' OG1' ' A' ' 65' ' ' THR . 53.4 tt0 -85.98 -21.78 27.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.325 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -66.74 -27.85 67.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.45 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 88.5 p -61.73 -22.53 65.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.424 ' HG1' ' N ' ' A' ' 66' ' ' ILE . 80.6 p -64.51 -36.89 85.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 ' N ' ' HG1' ' A' ' 65' ' ' THR . 96.6 mt -62.69 -41.86 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.068 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 39.6 mt -61.87 -62.63 1.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.485 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.32 -36.51 14.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.634 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 68.8 t -69.51 -68.43 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.034 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -59.11 -14.8 11.2 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 26.1 m120 -91.16 -48.04 7.18 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.8 mt -101.51 0.95 37.52 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 35.1 t30 -80.25 115.58 19.88 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.55 -9.27 77.54 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -78.42 117.04 19.26 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -77.93 109.85 12.34 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.222 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 10.6 tt -121.15 129.39 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.039 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.18 15.8 72.55 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.24 -1.5 84.54 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -128.92 148.45 50.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.937 0.398 . . . . 0.0 110.781 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.32 151.33 23.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.34 153.86 18.31 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -122.58 100.69 7.06 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.9 mm -100.89 132.02 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.694 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -150.53 144.06 25.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.017 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -78.26 140.85 38.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.4 t -147.26 143.77 28.37 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -97.21 15.71 21.95 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.023 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 51.7 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.989 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . 0.442 ' N ' ' CD1' ' B' ' 311' ' ' PHE . 13.1 m-85 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 120.993 0.425 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -160.74 46.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.491 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 28.6 mm -63.45 128.69 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.291 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 314' ' ' MET . . . . . 0.541 ' SD ' ' N ' ' B' ' 314' ' ' MET . 1.2 mpt? -77.86 150.34 78.31 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.49 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.68 160.06 49.83 Favored 'Trans proline' 0 N--CA 1.502 1.972 0 C-N-CA 122.759 2.306 . . . . 0.0 111.956 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -121.01 167.55 14.02 Favored Glycine 0 N--CA 1.47 0.92 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 89.6 p -63.38 -30.2 71.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -68.42 -15.69 63.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.49 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.525 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.9 t90 -61.22 -25.54 67.13 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.386 0.612 . . . . 0.0 111.267 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.48 2.83 0.1 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 71.88 19.24 78.1 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 69.9 t -69.73 145.09 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.514 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -69.27 137.1 52.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.46 146.02 41.58 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.041 0.448 . . . . 0.0 109.86 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 CA--C 1.516 -0.345 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.314 179.778 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.285 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.462 ' OE1' ' NE1' ' B' ' 332' ' ' TRP . 78.6 mm-40 -55.03 -21.07 10.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.775 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -57.91 -19.85 32.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.695 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.584 ' CG ' ' H ' ' B' ' 332' ' ' TRP . 0.1 OUTLIER -59.65 -61.3 2.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.31 -179.619 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . 0.584 ' H ' ' CG ' ' B' ' 331' ' ' LYS . 62.9 p-90 -72.81 -24.41 60.91 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.027 0.442 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -67.89 -46.78 70.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.766 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.82 87.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.636 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -60.56 -42.41 96.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.498 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -63.04 -42.05 99.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.295 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -72.62 -27.94 62.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.338 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.574 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.798 0.332 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -138.62 153.42 48.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.701 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mt -100.57 118.89 47.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -73.73 109.65 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.063 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.3 mt -110.76 111.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.64 177.12 19.92 Favored Glycine 0 N--CA 1.469 0.845 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 44.4 t30 55.58 38.96 30.88 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.785 0.326 . . . . 0.0 110.266 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.93 155.39 18.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -69.75 125.39 26.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.324 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -57.06 -18.21 13.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.48 -30.67 70.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.259 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.86 133.44 46.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.0 p -105.52 -178.11 3.56 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.465 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -59.9 -47.14 86.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.205 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -37.41 94.63 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.11 -40.2 95.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.722 0.296 . . . . 0.0 110.505 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.89 -43.62 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.076 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 32' ' ' SER . 20.7 mt -57.4 -49.68 75.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.476 ' O ' ' OG ' ' A' ' 32' ' ' SER . 60.7 m -61.11 -41.01 95.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 111.205 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.72 -47.97 90.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.393 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -89.39 -15.43 33.28 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.551 ' HG ' ' H ' ' A' ' 33' ' ' GLU . 9.5 p -47.37 -57.85 4.82 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.551 ' H ' ' HG ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -67.16 -12.29 59.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.232 0.539 . . . . 0.0 111.424 -179.344 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.507 ' CE1' ' OD1' ' A' ' 71' ' ' ASN . 54.5 m-85 -110.66 34.64 3.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.997 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.01 69.52 0.96 Allowed Glycine 0 C--N 1.339 0.73 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.155 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 9.2 p -55.47 123.01 48.04 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.914 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.1 160.83 36.2 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 123.239 2.626 . . . . 0.0 111.946 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.39 -0.32 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -167.12 143.27 4.32 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.53 124.78 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.402 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.9 mt -109.85 120.4 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.9 mt -104.8 132.07 51.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.632 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -70.82 123.53 22.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.363 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.673 -179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 53' ' ' GLY . 21.3 m-85 -142.75 148.9 37.97 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 122.757 -0.26 . . . . 0.0 110.512 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.03 147.15 26.77 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.983 0.421 . . . . 0.0 110.615 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -138.89 120.83 15.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.108 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.49 141.86 47.85 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.679 0.276 . . . . 0.0 110.53 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.8 tttp -92.32 126.19 37.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.41 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 28.4 p90 -104.39 159.82 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.694 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -76.84 -43.68 35.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.024 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 67.4 m-20 -125.67 150.62 47.47 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.985 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.449 ' O ' ' OG1' ' A' ' 65' ' ' THR . 3.9 mp0 -64.94 -18.24 65.06 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.966 0.412 . . . . 0.0 110.404 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -59.07 -32.54 69.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.079 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 t -61.02 -39.99 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.65 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.511 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 56.5 p -64.86 -46.79 80.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.33 -42.91 92.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 25.1 mt -64.93 -60.68 2.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.475 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.49 -38.97 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.475 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 52.2 t -59.26 -68.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.792 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -64.26 -20.37 66.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.949 0.404 . . . . 0.0 111.965 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.507 ' OD1' ' CE1' ' A' ' 34' ' ' TYR . 6.3 m120 -82.19 -33.06 29.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.022 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.4 mt -114.42 -0.88 13.63 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.962 0.411 . . . . 0.0 111.58 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 21.9 t-20 -76.32 110.25 10.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.236 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.45 -0.73 55.72 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.536 ' CE2' ' CG1' ' A' ' 77' ' ' ILE . 10.0 t80 -95.26 121.91 37.4 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.16 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -83.26 138.32 33.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.351 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.536 ' CG1' ' CE2' ' A' ' 75' ' ' PHE . 78.7 mt -137.24 123.54 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.526 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.65 19.27 77.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.57 -10.75 72.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -116.82 143.21 45.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.837 0.351 . . . . 0.0 110.562 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.528 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -94.4 121.53 36.02 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.758 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.0 154.24 33.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.942 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -114.03 120.28 40.07 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.904 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 mm -107.04 116.13 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -149.61 144.81 26.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -71.04 144.38 50.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.485 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.513 ' HG1' ' H ' ' A' ' 89' ' ' TYR . 1.8 t -140.03 139.45 35.98 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.912 0.387 . . . . 0.0 110.58 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -88.83 1.49 55.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.195 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.513 ' H ' ' HG1' ' A' ' 87' ' ' THR . 43.8 t80 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.294 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 26.2 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.841 0.353 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -88.56 35.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.17 113.08 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.301 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 21.8 ptp -92.05 154.36 43.35 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.379 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -54.65 139.01 76.57 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 123.134 2.556 . . . . 0.0 112.189 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -88.81 173.57 41.77 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 87.6 p -71.76 -22.83 61.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.672 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -70.28 -10.49 59.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.658 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.8 t90 -61.34 -17.01 51.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.712 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 15.3 t0 60.45 -12.29 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.658 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 83.84 12.53 77.11 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.416 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 24.6 t -62.19 150.46 8.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.839 0.352 . . . . 0.0 110.326 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -65.55 145.63 55.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.597 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -137.58 156.23 48.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.724 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 120.92 0.39 . . . . 0.0 110.773 -179.827 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 CA--C 1.526 0.058 0 CA-C-O 120.806 0.336 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -65.26 -21.09 66.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.709 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -50.28 -34.54 23.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.525 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 21.0 pttp -58.18 -41.57 84.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.5 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . 0.47 ' O ' ' OE1' ' B' ' 336' ' ' GLN . 86.8 t90 -62.62 -48.35 79.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.29 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -63.48 -38.73 92.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.302 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.6 89.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.299 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -62.75 -42.36 99.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.23 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . 0.47 ' OE1' ' O ' ' B' ' 332' ' ' TRP . 3.3 mp0 -61.79 -36.54 81.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.602 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -80.23 -43.2 21.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.05 0.452 . . . . 0.0 111.227 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.567 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 120.741 0.305 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.528 ' HH ' ' HZ1' ' A' ' 58' ' ' LYS . 79.6 m-85 -127.6 140.17 52.28 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.946 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -121.58 143.91 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -91.63 119.4 31.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.9 mt -109.3 106.0 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.92 175.41 25.18 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 59.53 46.36 12.23 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -85.51 137.71 32.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.116 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.454 ' OD1' ' OE2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -86.79 160.03 18.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.964 0.411 . . . . 0.0 110.693 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -70.33 -40.27 74.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.759 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' OE2' ' OD1' ' A' ' 19' ' ' ASN . 17.5 pm0 -68.23 -21.74 64.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.03 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.38 114.4 3.18 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.328 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -101.67 170.92 7.86 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.827 0.346 . . . . 0.0 110.504 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.4 mp0 -62.91 -40.65 98.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.383 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.51 -41.96 99.66 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.88 -43.81 98.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.636 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.97 -43.83 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.355 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 32' ' ' SER . 8.8 mt -57.16 -44.5 83.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.287 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.413 ' O ' ' OG ' ' A' ' 32' ' ' SER . 84.7 m -60.15 -40.14 88.82 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.16 0.505 . . . . 0.0 110.742 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 53.4 t -60.88 -48.29 89.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.433 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -87.72 -14.64 39.25 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.905 0.383 . . . . 0.0 111.769 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' LEU . 70.8 p -44.39 -60.23 2.04 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.516 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 87.4 tt0 -67.47 -35.99 80.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.567 . . . . 0.0 111.776 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.483 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 3.1 m-85 -86.32 34.28 0.63 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.177 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.96 74.53 1.15 Allowed Glycine 0 CA--C 1.527 0.837 0 C-N-CA 120.012 -1.089 . . . . 0.0 112.041 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 9.3 p -53.94 112.96 4.31 Favored Pre-proline 0 CA--C 1.547 0.85 0 CA-C-O 121.111 0.482 . . . . 0.0 110.843 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.99 159.0 27.17 Favored 'Trans proline' 0 N--CA 1.504 2.137 0 C-N-CA 123.764 2.976 . . . . 0.0 111.699 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.7 m -92.5 -25.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.747 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -156.39 143.9 19.23 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.644 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -129.21 131.96 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.253 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.8 114.81 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tp -112.9 101.44 9.5 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.697 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.8 t -67.49 141.06 57.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.384 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 . . . . . 0 N--CA 1.466 0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.418 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.726 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -149.45 158.14 43.91 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.824 0.345 . . . . 0.0 110.741 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.29 153.52 25.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -109.72 127.43 54.6 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.986 0.422 . . . . 0.0 109.991 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -110.25 130.66 55.51 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.849 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.528 ' HZ1' ' HH ' ' A' ' 12' ' ' TYR . 66.2 tttp -93.83 110.97 22.6 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 120.879 0.371 . . . . 0.0 110.038 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' OG ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -100.29 133.06 45.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -70.38 -41.22 73.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.547 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' OG ' ' A' ' 64' ' ' SER . 89.9 m-20 -120.29 138.41 53.7 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.846 0.355 . . . . 0.0 110.806 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' O ' ' OG1' ' A' ' 65' ' ' THR . 61.3 tt0 -68.46 -33.92 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.5 mtm-85 -61.5 -35.1 76.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.006 0.431 . . . . 0.0 111.178 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.544 ' OG ' ' CD1' ' A' ' 59' ' ' TYR . 93.2 p -59.4 -32.93 70.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.181 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 69.6 p -59.07 -30.55 68.15 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.588 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.43 -41.81 91.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.148 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.8 -52.12 64.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.65 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.51 98.99 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 121.02 0.438 . . . . 0.0 111.857 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 70.0 t -57.56 -65.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.513 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.99 -18.8 61.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.89 0.376 . . . . 0.0 111.996 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -87.62 -42.82 12.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 4.4 mm? -95.57 -18.27 20.73 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.042 0.449 . . . . 0.0 111.82 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 23.7 t-20 -58.62 118.36 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.722 0.296 . . . . 0.0 110.356 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.19 0.27 89.52 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -78.24 132.93 37.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -90.56 109.47 20.62 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 80' ' ' ARG . 4.9 tt -123.86 143.78 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.601 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.97 -130.21 43.3 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.33 -72.15 1.02 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ILE . 2.7 mpp_? -102.23 167.07 10.23 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.892 0.377 . . . . 0.0 110.076 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.15 110.21 12.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.7 pt? -50.22 144.66 6.91 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.464 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -108.39 127.92 54.31 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.062 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mm -104.06 125.15 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.793 0.33 . . . . 0.0 110.198 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 42.0 t0 -151.29 147.39 26.9 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.611 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 37.3 m170 -78.96 147.15 33.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.563 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.445 ' HG1' ' H ' ' A' ' 89' ' ' TYR . 13.2 t -154.68 135.28 13.48 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.624 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -87.8 14.45 8.65 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.38 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.445 ' H ' ' HG1' ' A' ' 87' ' ' THR . 50.4 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.402 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 120.741 0.305 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -125.07 35.77 4.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.739 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 83.6 mt -93.08 121.76 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.846 0.355 . . . . 0.0 110.139 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 11.2 ptp -77.24 150.54 80.45 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.621 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.02 165.01 33.96 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 123.331 2.687 . . . . 0.0 111.98 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -120.91 165.19 14.06 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 317' ' ' SER . . . . . 0.483 ' C ' ' H ' ' B' ' 319' ' ' TRP . 38.9 t -61.3 -42.99 99.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 110.586 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -54.76 -9.33 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.374 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.622 ' C ' ' H ' ' B' ' 321' ' ' GLY . 18.8 t90 -62.67 -15.03 50.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.452 0.644 . . . . 0.0 111.359 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 22.3 t0 56.93 -5.03 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 81.24 7.83 87.96 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.544 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 68.8 t -88.82 121.29 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.819 0.342 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' B' ' 323' ' ' HIS . 36.5 p-80 -101.19 123.31 45.13 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -133.1 106.38 7.59 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.541 179.777 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' B' ' 329' ' ' GLU . 20.8 p90 . . . . . 0 C--O 1.225 -0.22 0 CA-C-O 120.663 0.268 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.554 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 15.2 tm-20 -62.35 -30.69 71.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.962 0.411 . . . . 0.0 110.81 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.87 -30.51 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.72 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -50.16 -29.21 8.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.447 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -61.11 -49.01 79.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.306 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.91 -43.23 93.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.0 110.268 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.69 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -39.6 86.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.554 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -62.26 -41.57 98.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.162 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -66.11 -37.61 86.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.312 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.539 ' O ' ' CD2' ' A' ' 12' ' ' TYR . . . . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 120.66 0.267 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 11' ' ' ALA . 60.9 m-85 -158.14 146.48 18.8 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.11 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.434 ' C ' ' OG1' ' A' ' 87' ' ' THR . 2.3 mt -108.48 129.08 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 120.863 0.363 . . . . 0.0 110.044 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.523 ' N ' ' OG1' ' A' ' 87' ' ' THR . 40.9 t80 -74.87 118.96 18.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.118 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mt -118.45 112.19 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.85 174.61 19.78 Favored Glycine 0 N--CA 1.471 1.011 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 55.65 38.86 30.7 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.825 0.345 . . . . 0.0 110.71 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -104.12 157.85 16.84 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 110.244 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 78' ' ' GLY . 8.4 m-20 -83.34 137.65 33.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.466 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -65.34 -20.23 66.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.511 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.37 -30.55 70.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.363 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 10.9 mp -69.01 130.84 43.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.472 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -99.65 179.8 4.43 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.36 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.99 -39.92 91.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.86 99.72 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.19 -44.12 97.79 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 27' ' ' ILE . 85.3 mt -62.43 -43.7 98.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.136 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.9 -44.52 95.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.409 ' O ' ' OG ' ' A' ' 32' ' ' SER . 99.3 m -62.52 -41.47 98.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.947 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.36 -48.11 86.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.53 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -82.97 -12.36 57.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.601 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 29' ' ' THR . 80.5 p -43.16 -57.09 3.1 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.48 -38.44 74.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.172 0.51 . . . . 0.0 111.556 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CD1' ' OD1' ' A' ' 71' ' ' ASN . 23.5 m-85 -80.13 34.33 0.3 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.19 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.3 73.17 1.12 Allowed Glycine 0 N--CA 1.466 0.652 0 C-N-CA 119.994 -1.098 . . . . 0.0 111.358 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.487 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 11.9 p -52.24 108.98 1.21 Allowed Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 121.417 0.627 . . . . 0.0 110.792 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -60.67 156.01 45.06 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 123.2 2.6 . . . . 0.0 112.093 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.1 m -98.2 -10.49 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.371 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 54.6 t0 -158.43 139.55 13.17 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.768 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.426 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 21.0 t -125.85 127.72 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 120.705 0.288 . . . . 0.0 110.395 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 41' ' ' ILE . 80.3 mt -107.82 114.6 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.079 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 mp -116.98 130.1 56.47 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.647 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -62.16 155.31 24.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.164 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 . . . . . 0 N--CA 1.47 0.544 0 CA-C-O 120.928 0.394 . . . . 0.0 110.938 -179.596 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.744 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -158.49 161.14 37.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.614 0.245 . . . . 0.0 110.901 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.447 ' O ' ' CD1' ' A' ' 56' ' ' TYR . . . -152.84 154.99 36.25 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.683 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.447 ' CD1' ' O ' ' A' ' 55' ' ' ALA . 10.9 m-85 -136.07 135.89 39.74 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.739 0.304 . . . . 0.0 110.691 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.56 144.19 49.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -91.84 127.81 37.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 61' ' ' ASP . 17.3 p90 -96.82 153.88 17.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.744 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.61 -40.81 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 67.3 m-20 -124.75 150.06 46.65 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.145 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -65.42 -34.33 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -58.2 -20.87 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.405 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.3 t -60.97 -40.75 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.869 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.41 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 70.3 p -60.56 -42.32 96.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.707 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.16 -44.24 97.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.209 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 19.5 mt -65.13 -62.91 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.279 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.77 -40.9 42.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 52.9 t -61.97 -67.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.549 -0.461 . . . . 0.0 111.284 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.6 -22.26 66.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.968 0.413 . . . . 0.0 111.892 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.453 ' OD1' ' CD1' ' A' ' 34' ' ' TYR . 5.3 m120 -76.91 -48.62 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.55 18.9 19.84 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.867 0.365 . . . . 0.0 111.732 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.9 t30 -77.65 110.65 12.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.61 0.46 79.0 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -78.99 133.36 36.84 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.661 0.267 . . . . 0.0 110.342 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -94.18 133.55 37.57 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.545 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 77' ' ' ILE . 28.8 mt -142.01 125.29 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.481 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . 73.32 15.66 78.87 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.42 -5.85 84.25 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -118.92 134.24 55.3 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.87 113.56 22.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.698 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.39 152.18 42.18 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.063 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -114.87 114.53 25.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 mm -98.37 123.69 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.843 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -154.34 156.61 37.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.303 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -63.21 133.0 53.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.245 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.523 ' OG1' ' N ' ' A' ' 14' ' ' TYR . 11.2 m -89.05 127.06 35.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.072 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -102.12 -10.86 19.29 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.33 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.658 179.844 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -104.32 45.13 0.98 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 95.8 mt -99.99 120.14 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 120.936 0.398 . . . . 0.0 110.538 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 314' ' ' MET . . . . . 0.459 ' N ' ' SD ' ' B' ' 314' ' ' MET . 2.8 mpp? -90.97 151.89 43.78 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.215 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.79 150.79 68.52 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.959 2.439 . . . . 0.0 112.335 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -103.25 176.9 24.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 95.4 p -66.55 -28.1 68.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.974 0.416 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -62.31 -18.99 62.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.76 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.605 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.0 t90 -60.28 -16.6 35.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.165 0.507 . . . . 0.0 111.182 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 35.7 t0 64.27 -31.96 0.13 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.194 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.605 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 106.9 10.64 27.96 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.18 135.1 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -69.96 143.28 52.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . 0.67 ' HE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -138.94 152.48 47.75 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.197 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 120.767 0.318 . . . . 0.0 110.439 179.481 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.518 ' CE1' ' OE2' ' B' ' 329' ' ' GLU . 47.1 p90 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 120.766 0.317 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.518 ' OE2' ' CE1' ' B' ' 328' ' ' PHE . 40.6 mp0 -58.85 -20.43 50.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.102 0.477 . . . . 0.0 110.553 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -51.24 -22.13 2.51 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.29 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.434 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.2 OUTLIER -51.97 -61.59 2.16 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.7 0.286 . . . . 0.0 111.555 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . 0.434 ' H ' ' HG3' ' B' ' 331' ' ' LYS . 33.2 p-90 -79.93 -23.34 41.8 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.187 0.518 . . . . 0.0 111.093 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.73 -29.83 61.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.51 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.48 94.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.455 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.87 -45.09 75.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.142 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -67.1 -19.96 65.72 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.414 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -83.57 -43.13 16.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.733 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 -179.874 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.565 ' H ' ' NE2' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.736 0.303 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -118.52 151.35 38.01 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.791 0.329 . . . . 0.0 110.761 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -106.61 124.27 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -85.74 128.72 34.87 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.627 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -124.03 130.67 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.28 174.85 22.3 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 54.95 37.9 29.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.918 0.39 . . . . 0.0 110.496 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' CD2' ' H ' ' A' ' 18' ' ' LEU . 2.0 pt? -88.9 147.02 24.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.318 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -63.69 141.83 58.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.744 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -61.28 -30.54 70.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.446 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.59 -32.11 65.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.78 117.32 3.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.524 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -104.51 -176.96 3.23 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 110.317 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -61.13 -39.83 91.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.575 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -40.79 96.26 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.01 -40.04 94.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.0 -45.29 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.0 mt -55.26 -47.67 75.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.605 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.422 ' O ' ' OG ' ' A' ' 32' ' ' SER . 70.5 m -61.77 -43.13 99.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.956 0.408 . . . . 0.0 111.253 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.31 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -85.5 -13.14 49.98 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.507 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 29' ' ' THR . 87.8 p -43.81 -62.32 1.15 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -72.87 -33.83 66.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.174 0.512 . . . . 0.0 111.305 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -86.68 35.12 0.66 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.159 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.64 70.58 0.91 Allowed Glycine 0 CA--C 1.523 0.582 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.903 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.553 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 11.7 p -55.7 121.27 38.24 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.348 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.54 157.27 44.8 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 122.975 2.45 . . . . 0.0 112.111 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 m -92.46 -24.3 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.849 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -169.2 153.12 5.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.543 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 m -137.64 149.28 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.102 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -110.61 119.81 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.724 0.297 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -112.68 99.27 7.81 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.5 m -80.52 136.65 36.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.9 ttt-85 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.284 179.669 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -89.36 141.39 28.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.941 0.401 . . . . 0.0 110.384 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.36 155.54 41.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -112.26 123.49 50.4 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.89 0.376 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -95.72 138.13 33.8 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.7 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -127.54 106.97 9.54 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.776 0.322 . . . . 0.0 111.032 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.553 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 7.0 t80 -117.72 142.88 46.75 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.266 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 15.2 tm-20 -55.25 -52.41 63.48 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.458 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -86.14 112.61 21.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 0.0 110.492 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.565 ' NE2' ' H ' ' A' ' 11' ' ' ALA . 85.8 mt-30 -78.13 -20.05 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -68.96 -34.75 75.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.009 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.2 t -58.36 -38.7 77.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.952 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.8 p -48.21 -26.98 2.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.577 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.0 mt -60.27 -47.9 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.312 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.455 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 5.0 mp -66.8 -45.74 77.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.062 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.87 78.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.949 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 98.8 t -65.05 -53.68 38.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.157 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -64.81 -14.93 60.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.737 0.304 . . . . 0.0 111.685 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 24.5 m120 -105.54 -22.67 12.95 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.6 mt -113.36 -7.59 13.48 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.923 0.392 . . . . 0.0 111.315 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 28.9 t-20 -76.19 113.58 13.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 110.432 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.25 3.75 89.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -80.11 123.43 27.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.466 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -72.81 121.81 20.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.12 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 77' ' ' ILE . 14.7 tt -139.45 125.94 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.37 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.03 17.81 75.9 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.82 3.62 80.03 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -125.88 153.15 44.59 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.045 0.45 . . . . 0.0 110.487 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.51 144.24 30.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 mt -88.8 140.58 29.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.869 0.366 . . . . 0.0 110.694 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -131.06 113.92 14.53 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.441 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 50.0 mt -134.94 142.26 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.578 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 84' ' ' ILE . 80.4 m-20 -147.11 157.12 43.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.961 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.19 132.13 35.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.985 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.7 t -137.72 140.37 40.67 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.055 0.455 . . . . 0.0 110.329 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -98.81 15.26 25.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.2 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.08 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . 0.451 ' CD1' HD22 ' A' ' 67' ' ' LEU . 60.3 m-85 . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 120.806 0.336 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -135.47 48.81 2.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 87.6 mt -97.06 118.68 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.437 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 314' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.3 mpt? -89.39 148.72 41.15 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.222 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.62 161.17 47.0 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.991 2.461 . . . . 0.0 112.283 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -117.0 168.21 12.76 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 95.2 p -63.7 -35.59 81.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -59.41 -12.06 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.584 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.0 t90 -60.38 -11.65 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.225 0.536 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 55.95 -1.06 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.929 0.395 . . . . 0.0 111.174 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 75.84 10.76 84.96 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.519 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 53.1 t -65.61 139.62 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.672 0.272 . . . . 0.0 110.294 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -79.0 111.83 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.226 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . 0.587 ' O ' ' NE ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -138.52 114.52 10.09 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 94.3 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.313 . . . . 0.0 110.606 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 84.3 t80 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.786 0.327 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.88 -21.33 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.783 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -59.37 -49.56 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.718 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -70.0 -27.79 64.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.647 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . 0.594 ' CZ3' ' NE2' ' B' ' 336' ' ' GLN . 48.1 t90 -61.71 -48.66 79.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.426 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.53 -38.09 83.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.233 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.34 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.431 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -63.46 -41.72 98.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.623 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . 0.594 ' NE2' ' CZ3' ' B' ' 332' ' ' TRP . 35.1 mt-30 -59.8 -41.45 91.23 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.338 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -62.97 -40.03 96.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.268 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.677 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.623 0.249 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -120.71 158.54 27.26 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.827 0.346 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -102.18 122.03 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -84.41 126.24 33.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.293 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.2 mt -118.89 121.71 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.29 167.47 23.43 Favored Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 61.44 41.48 12.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.003 0.43 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.49 143.16 26.65 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.175 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -65.42 138.34 58.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.372 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -61.05 -21.17 63.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -77.53 -28.43 51.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.545 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.92 117.67 8.63 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.328 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.1 p -96.64 173.68 7.21 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.385 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -60.08 -42.66 95.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.349 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.03 -40.12 98.49 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.51 -40.68 97.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.886 0.374 . . . . 0.0 110.579 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.42 -41.63 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.155 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.79 -42.84 94.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.074 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.4 m -63.62 -42.86 98.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.934 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.33 -49.61 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -74.83 -14.22 60.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.231 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -43.77 -57.06 3.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.78 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' C ' ' H ' ' A' ' 35' ' ' GLY . 10.3 tp10 -71.9 -39.79 69.32 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.218 0.532 . . . . 0.0 111.604 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' OH ' ' NE ' ' B' ' 324' ' ' ARG . 28.0 m-85 -79.49 33.7 0.25 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.002 -178.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 33' ' ' GLU . . . 99.89 73.47 1.06 Allowed Glycine 0 C--N 1.341 0.84 0 C-N-CA 119.872 -1.156 . . . . 0.0 112.353 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 36' ' ' VAL . 11.9 p -55.39 114.09 6.66 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-O 121.429 0.633 . . . . 0.0 109.88 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.79 159.97 41.37 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 123.577 2.851 . . . . 0.0 112.883 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.88 -14.53 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.37 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -158.94 147.94 18.61 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 t -137.4 128.4 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.466 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -114.95 115.89 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.902 0.382 . . . . 0.0 110.67 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.37 105.19 6.81 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.494 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -66.59 141.35 57.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.414 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 . . . . . 0 N--CA 1.463 0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.696 179.778 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.098 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -138.33 155.25 48.74 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.782 0.325 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.34 158.46 34.36 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.649 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -115.85 145.27 43.0 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.7 0.286 . . . . 0.0 110.41 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mt -121.77 147.93 45.3 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.424 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -129.46 107.94 9.88 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 120.864 0.364 . . . . 0.0 111.194 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.614 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 81.9 t80 -109.25 175.26 5.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.931 0.396 . . . . 0.0 110.007 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.614 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 99.6 mt-10 -75.09 -59.08 2.9 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -110.38 126.69 54.53 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.9 0.381 . . . . 0.0 111.073 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.457 ' O ' ' OG1' ' A' ' 65' ' ' THR . 14.5 tt0 -55.36 -18.81 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.531 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -60.45 -35.47 75.93 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.511 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 94.2 p -61.66 -22.97 65.76 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.258 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 51.1 p -60.52 -26.55 66.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.35 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.94 -38.36 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.334 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 40.1 mt -68.59 -43.1 77.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.442 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.08 -51.09 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.933 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 70' ' ' ASP . 20.6 m -66.42 -51.3 59.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 111.801 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 42.8 t0 -56.71 -12.49 1.89 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -116.47 -52.46 2.57 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 3.7 mm? -79.24 -10.36 59.8 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -74.45 109.86 8.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.908 0.385 . . . . 0.0 110.075 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.19 3.64 78.79 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' B' ' 325' ' ' SER . 35.9 t80 -78.48 128.28 33.35 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.4 126.81 32.08 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.163 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.409 HG22 HD12 ' A' ' 77' ' ' ILE . 30.4 mt -140.06 113.35 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.143 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.76 21.91 78.81 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.66 -10.87 73.63 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -112.78 147.65 36.45 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 122.554 -0.38 . . . . 0.0 110.329 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.48 139.92 32.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.611 0.243 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.48 145.24 30.83 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -123.27 100.7 6.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.737 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mm -96.29 141.55 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.237 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -156.99 151.78 25.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.634 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -78.55 142.78 37.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.757 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.7 t -153.41 142.05 20.91 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.139 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.9 27.01 2.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.073 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.7 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.292 -179.588 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -109.0 22.71 15.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.183 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 77.6 mt -86.98 115.74 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 13.2 mmt -81.59 149.98 65.64 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.721 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.53 154.2 68.98 Favored 'Trans proline' 0 N--CA 1.502 2.003 0 C-N-CA 123.087 2.525 . . . . 0.0 112.097 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -111.93 172.49 14.88 Favored Glycine 0 N--CA 1.469 0.842 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 74.9 m -61.97 -28.7 69.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.896 0.379 . . . . 0.0 110.483 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -57.53 -27.6 62.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.6 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.6 t90 -59.68 -21.58 60.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.094 0.473 . . . . 0.0 111.295 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 58.12 -4.93 0.05 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.6 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 77.34 20.71 74.51 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.36 150.48 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.664 0.269 . . . . 0.0 110.375 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -69.16 128.61 37.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . 0.401 ' NE ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -140.36 135.59 32.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.746 0.308 . . . . 0.0 110.443 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 325' ' ' SER . . . . . 0.442 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 51.0 m . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.649 0.261 . . . . 0.0 110.849 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 49.8 p90 . . . . . 0 C--O 1.228 -0.036 0 CA-C-O 120.684 0.278 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.79 -24.21 56.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.86 0.362 . . . . 0.0 110.766 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.89 -19.07 26.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.419 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -54.36 -27.51 36.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -60.89 -46.03 92.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.18 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -66.26 -39.8 89.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.445 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.15 98.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -63.43 -44.71 93.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.44 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -64.5 -38.0 89.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.437 . . . . 0.0 110.944 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -69.32 -42.35 75.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.221 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.974 0.416 . . . . 0.0 111.739 -179.616 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.893 0.378 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -133.88 141.5 47.4 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.536 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.43 144.75 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.303 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -95.52 113.11 24.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.054 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.3 mt -104.15 123.82 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.527 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.13 -177.54 15.07 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 61.36 29.14 18.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.565 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -102.24 140.28 36.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.216 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -68.96 135.67 51.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -56.47 -20.79 21.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.436 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.77 -31.77 73.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.564 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.91 126.47 27.43 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.2 p -97.66 174.36 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.476 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.74 -43.35 94.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.346 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.71 -39.3 97.36 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.57 -43.58 97.13 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 110.753 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.67 -43.87 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.247 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' ' OG ' ' A' ' 32' ' ' SER . 7.8 mt -57.13 -48.12 79.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.784 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.1 m -61.57 -41.77 97.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.043 0.449 . . . . 0.0 110.575 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.94 -45.66 97.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.03 -13.28 44.89 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 27.0 m -51.24 -54.56 24.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.847 0.356 . . . . 0.0 111.906 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.52 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 83.5 tt0 -62.41 -19.52 63.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CZ ' ' OD1' ' A' ' 71' ' ' ASN . 48.7 m-85 -107.94 33.57 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.42 74.98 1.21 Allowed Glycine 0 C--N 1.341 0.846 0 C-N-CA 120.304 -0.951 . . . . 0.0 111.708 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 7.5 p -51.87 112.71 3.43 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-O 121.361 0.6 . . . . 0.0 110.649 -177.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -55.33 160.15 9.2 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 123.225 2.616 . . . . 0.0 111.868 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.1 m -90.82 -25.04 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.592 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -169.24 151.33 4.59 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.6 146.22 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.235 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.1 mt -105.46 117.6 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.325 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -110.33 98.95 8.06 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.468 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.6 m -78.43 146.73 34.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.675 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.584 179.6 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.75 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -83.62 148.81 26.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.758 0.313 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.62 153.32 29.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -105.99 120.99 43.19 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.069 0.462 . . . . 0.0 110.11 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 tt -100.14 122.08 42.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.51 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -91.13 121.67 33.11 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.724 0.297 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.52 135.21 42.31 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.782 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.31 -43.18 98.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.445 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -126.35 138.66 53.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.71 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.493 ' O ' ' OG1' ' A' ' 65' ' ' THR . 49.4 tt0 -64.02 -35.56 81.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.9 -37.59 79.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.788 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -62.38 -36.57 82.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.98 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 38.7 p -55.09 -30.98 60.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.348 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.44 -44.65 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 32.3 mt -59.79 -51.09 71.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.233 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.63 -47.78 77.27 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.075 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 75.7 t -63.64 -52.55 56.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.175 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.82 -29.85 70.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.906 0.384 . . . . 0.0 111.824 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.558 ' OD1' ' CZ ' ' A' ' 34' ' ' TYR . 23.4 t-20 -84.54 -48.91 9.08 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 4.4 mm? -77.35 -28.87 53.17 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.828 0.347 . . . . 0.0 111.478 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 51.7 t30 -68.7 116.07 8.78 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.933 0.397 . . . . 0.0 110.465 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.59 -0.65 63.36 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -94.2 127.25 39.93 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.794 0.331 . . . . 0.0 110.277 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -83.46 123.3 29.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 77' ' ' ILE . 22.4 mt -133.3 119.29 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.408 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.45 15.28 81.14 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.72 7.88 64.29 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -141.97 151.9 42.96 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.65 0.262 . . . . 0.0 110.775 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.46 146.85 24.97 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.032 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.16 156.47 29.85 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.548 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -127.06 101.87 6.73 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 mt -121.78 147.12 25.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.319 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -157.47 164.45 37.42 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -88.54 119.77 29.31 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.676 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.434 HG21 ' H ' ' A' ' 89' ' ' TYR . 14.9 t -109.14 -21.21 12.7 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.822 0.344 . . . . 0.0 110.577 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 42.38 31.19 0.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.653 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.434 ' H ' HG21 ' A' ' 87' ' ' THR . 36.1 t80 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.63 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 120.978 0.418 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -111.04 25.08 12.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.7 mt -99.46 119.75 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.885 0.374 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.86 149.58 60.07 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.201 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.63 156.02 64.8 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 123.265 2.644 . . . . 0.0 112.002 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -102.38 163.27 16.7 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 317' ' ' SER . . . . . 0.57 ' C ' ' H ' ' B' ' 319' ' ' TRP . 96.6 p -65.32 -31.81 73.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.013 0.435 . . . . 0.0 110.679 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 318' ' ' ARG . 17.0 ttp180 -66.0 9.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.519 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.662 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.0 t90 -81.71 -5.28 57.97 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.139 0.495 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 32.5 t0 63.37 -24.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.662 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 90.86 12.54 60.39 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.548 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 30.1 m -71.97 151.68 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 110.429 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -82.2 109.96 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.141 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -129.53 109.41 11.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 109.985 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.0 t80 . . . . . 0 C--O 1.223 -0.293 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 72.7 tt0 -70.83 -30.9 67.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.107 0.479 . . . . 0.0 110.398 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -65.67 -23.64 66.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.834 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 8.3 ptmm? -48.37 -48.45 36.63 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.339 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . 0.589 ' CZ2' ' CD2' ' B' ' 333' ' ' PHE . 61.6 p-90 -87.24 -36.7 17.8 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.143 0.497 . . . . 0.0 110.935 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . 0.589 ' CD2' ' CZ2' ' B' ' 332' ' ' TRP . 0.1 OUTLIER -60.07 -36.3 77.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' B' ' 338' ' ' GLU . . . -61.4 -46.94 88.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.286 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -66.12 -34.29 77.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.687 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.91 -43.24 99.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.108 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.37 -41.59 98.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.418 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' B' ' 338' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.662 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.75 0.31 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -122.04 145.15 48.43 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.511 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -97.83 116.01 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -79.11 118.53 21.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.412 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.7 mt -108.77 121.09 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.586 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.03 -178.32 15.35 Favored Glycine 0 N--CA 1.469 0.839 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 55.43 37.39 28.82 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.767 0.317 . . . . 0.0 110.674 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -104.45 144.36 31.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.395 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 59.6 t-20 -81.45 140.3 34.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.603 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 8.1 ptp180 -60.65 -17.62 48.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.643 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.17 -14.51 63.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -87.86 132.81 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.43 -175.44 2.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 110.313 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -62.8 -40.52 97.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.351 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.4 -42.34 99.12 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.72 -44.3 97.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.665 0.269 . . . . 0.0 110.676 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 27' ' ' ILE . 87.1 mt -63.63 -44.6 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' SER . 22.7 mt -58.23 -47.31 83.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.625 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.2 m -61.11 -42.97 99.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.004 0.43 . . . . 0.0 111.216 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.8 -47.87 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.025 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 72' ' ' LEU . 41.6 m-85 -87.3 -13.87 42.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 0.0 111.549 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 28' ' ' LEU . 19.6 t -45.91 -58.43 3.55 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -66.49 -12.01 55.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.118 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.617 ' CE2' ' ND2' ' A' ' 71' ' ' ASN . 53.0 m-85 -113.34 33.01 5.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' C ' ' CE1' ' A' ' 59' ' ' TYR . . . 100.88 71.94 0.96 Allowed Glycine 0 C--N 1.341 0.821 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.68 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.481 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 11.1 p -53.95 110.41 2.06 Favored Pre-proline 0 CA--C 1.543 0.685 0 CA-C-O 121.356 0.598 . . . . 0.0 110.529 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.05 151.28 51.17 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 123.159 2.573 . . . . 0.0 112.141 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.444 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 15.8 m -92.18 -20.99 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.026 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 38' ' ' VAL . 41.8 m-20 -158.19 127.53 5.77 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.517 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -112.43 127.46 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.418 HD12 HG21 ' A' ' 41' ' ' ILE . 80.6 mt -101.58 119.1 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.022 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.36 130.03 56.67 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.227 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -81.0 136.4 35.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.432 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -134.25 153.58 51.78 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.853 0.359 . . . . 0.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.57 160.18 42.38 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.599 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.14 140.1 44.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.494 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -111.62 139.89 46.69 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.018 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -131.04 114.46 15.2 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.414 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CE1' ' C ' ' A' ' 35' ' ' GLY . 69.9 t80 -112.49 166.01 11.71 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.97 0.414 . . . . 0.0 110.121 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 60.8 mm-40 -62.7 -48.18 80.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.937 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -113.33 116.81 30.29 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.931 0.396 . . . . 0.0 111.455 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' OG1' ' A' ' 65' ' ' THR . 24.2 pt20 -56.41 -19.49 15.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 110.68 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -63.79 -36.01 82.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -60.82 -21.83 63.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.774 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 38.9 p -59.06 -34.08 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.992 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 66' ' ' ILE . 98.2 mt -62.35 -43.32 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.411 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.16 -47.68 84.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.82 90.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.964 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 42.7 t -56.81 -67.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.423 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -56.67 -42.74 79.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.952 0.405 . . . . 0.0 111.986 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.617 ' ND2' ' CE2' ' A' ' 34' ' ' TYR . 34.3 t30 -63.27 -45.62 90.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 84.2 mt -90.94 -16.78 27.49 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 36.2 t30 -74.4 117.04 15.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.576 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.43 6.66 68.1 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -99.67 125.93 45.6 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 110.309 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -84.96 124.73 32.01 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.455 ' C ' ' H ' ' A' ' 79' ' ' GLY . 71.0 mt -133.24 127.88 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.2 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.32 -39.14 1.43 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 77' ' ' ILE . . . 156.25 -8.71 0.27 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -127.1 152.85 46.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.711 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.48 131.19 35.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.67 135.78 56.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.64 100.71 9.45 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.352 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mm -98.93 127.34 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -145.32 152.41 39.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -82.96 136.55 34.5 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.684 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.1 t -149.22 159.2 44.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.677 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -139.9 36.86 1.97 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.74 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.387 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.696 0.284 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -92.98 71.47 4.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.441 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.6 mt -71.7 125.82 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 314' ' ' MET . . . . . 0.599 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.6 pmm? -72.0 157.38 89.58 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.233 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.84 152.09 80.66 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.991 2.461 . . . . 0.0 112.275 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -104.33 164.42 14.87 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 317' ' ' SER . . . . . 0.526 ' C ' ' H ' ' B' ' 319' ' ' TRP . 42.5 t -62.44 -43.31 99.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.928 0.394 . . . . 0.0 110.791 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -65.88 6.04 0.41 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.59 ' C ' ' H ' ' B' ' 321' ' ' GLY . 23.0 t90 -68.51 -21.57 64.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.241 0.543 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 22.5 t0 67.23 -33.5 0.21 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.7 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.59 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 109.61 12.73 18.36 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.531 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 83.9 t -86.62 123.64 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.172 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . 0.71 ' CD2' ' H ' ' B' ' 323' ' ' HIS . 0.1 OUTLIER -82.4 124.43 30.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.344 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -139.29 107.32 5.71 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.752 0.31 . . . . 0.0 110.226 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 87.0 p . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.582 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.0 t80 . . . . . 0 C--O 1.226 -0.148 0 CA-C-O 121.033 0.444 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 47.2 mt-10 -58.09 -20.4 39.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.392 0.615 . . . . 0.0 111.052 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -54.58 -20.31 7.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.701 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.511 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.0 OUTLIER -56.35 -62.8 1.47 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.419 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . 0.511 ' H ' ' HG3' ' B' ' 331' ' ' LYS . 49.0 p-90 -70.12 -26.19 63.84 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 110.593 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -74.59 -40.3 61.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.184 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.05 96.65 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -65.77 -38.97 90.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.638 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -61.03 -43.02 99.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.342 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -76.05 -26.48 56.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.179 0.514 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 . . . . . 0 C--N 1.322 -0.613 0 CA-C-O 120.992 0.425 . . . . 0.0 111.033 -179.668 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -123.72 138.09 54.58 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.755 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.418 HG22 HD13 ' A' ' 13' ' ' ILE . 8.5 pt -130.2 154.66 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.945 0.402 . . . . 0.0 110.318 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -94.89 125.95 39.89 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -120.49 103.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.05 177.18 16.38 Favored Glycine 0 N--CA 1.47 0.964 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 28.0 t-20 61.05 42.23 12.81 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.844 0.354 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.2 157.49 17.25 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.183 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -82.6 138.98 34.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.258 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -59.61 -24.58 63.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -62.08 -28.48 69.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.633 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 8.3 mp -72.29 127.14 31.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -107.02 -171.87 1.97 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.54 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.9 -42.28 93.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.02 98.71 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.56 -44.42 96.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.844 0.355 . . . . 0.0 110.774 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.59 -45.46 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 32' ' ' SER . 25.0 mt -61.33 -47.33 86.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' B' ' 319' ' ' TRP . 17.1 m -61.97 -40.89 97.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 0.0 111.108 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.88 -50.62 79.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.738 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -87.5 -15.44 37.57 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.106 0.479 . . . . 0.0 111.751 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.0 t -45.94 -55.62 6.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.75 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.504 ' OE1' ' CE2' ' B' ' 319' ' ' TRP . 24.4 pt-20 -64.1 -11.86 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -112.77 33.99 4.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.4 69.89 0.99 Allowed Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.022 -1.085 . . . . 0.0 111.362 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.469 ' O ' ' OE2' ' A' ' 60' ' ' GLU . 4.7 p -55.54 127.93 67.23 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.922 -177.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.6 161.84 41.19 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 123.569 2.846 . . . . 0.0 111.756 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.7 m -88.81 -13.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.715 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -168.72 148.46 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.789 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.32 130.09 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.418 HG21 HD11 ' A' ' 41' ' ' ILE . 80.6 mt -94.76 112.32 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.538 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mp -115.89 96.26 5.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.503 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.4 t -74.39 132.77 42.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.125 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.8 mtt-85 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 120.824 0.345 . . . . 0.0 110.92 -179.709 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -151.74 151.3 31.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.717 0.294 . . . . 0.0 110.612 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.65 163.1 35.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.739 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -136.72 122.21 19.55 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.839 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.566 ' CD1' ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -106.11 138.35 42.45 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.764 0.316 . . . . 0.0 110.307 -179.769 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -84.27 105.14 14.89 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.77 138.29 37.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.59 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 36' ' ' VAL . 45.7 mp0 -70.49 -43.24 70.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.35 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -119.25 124.91 47.88 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.117 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.449 ' O ' ' OG1' ' A' ' 65' ' ' THR . 64.1 tt0 -62.56 -34.59 77.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.504 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 11.6 mpt_? -59.18 -33.06 70.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.313 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.1 t -59.56 -37.87 79.6 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.755 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 68.7 p -57.2 -33.57 67.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.683 -179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.06 -40.36 88.73 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 CA-C-O 120.987 0.422 . . . . 0.0 110.419 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 44.1 mt -69.5 -38.34 77.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.939 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.72 87.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.026 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.417 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 25.7 m -74.7 -42.76 47.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 121.238 0.542 . . . . 0.0 111.058 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.08 -15.99 16.83 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.619 -178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -116.63 -49.07 2.66 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -78.75 -21.93 47.22 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 64.7 t30 -68.69 118.51 11.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.0 0.429 . . . . 0.0 110.523 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.58 10.34 67.74 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -104.14 117.28 33.88 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -67.61 125.89 27.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.771 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.2 tt -137.09 131.86 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.611 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.39 23.97 73.56 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.91 0.56 90.32 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.29 150.57 47.88 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.864 0.364 . . . . 0.0 110.655 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.05 120.02 33.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.591 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.63 151.82 34.16 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.486 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -110.39 115.81 30.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.441 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mm -106.57 128.32 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.138 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 43.7 t0 -156.54 145.46 20.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.722 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.484 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 20.8 m170 -70.49 141.61 51.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.166 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.0 t -129.81 126.27 37.68 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.754 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -76.22 7.42 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.383 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 -179.862 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . 0.604 ' N ' ' CD1' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.183 0 CA-C-O 120.893 0.378 . . . . 0.0 110.085 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -137.65 70.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.365 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 83.3 mt -93.78 128.37 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.717 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 25.8 mmt -83.78 147.97 53.2 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.66 154.74 59.52 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 123.195 2.597 . . . . 0.0 112.14 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -99.44 173.89 26.58 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 69.0 m -68.78 -28.9 67.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.367 . . . . 0.0 110.642 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -58.93 -16.78 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.709 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.58 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.9 t90 -60.07 -25.25 65.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.107 0.479 . . . . 0.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 24.0 t0 65.79 -11.47 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 80.93 13.68 80.82 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 9.6 p -53.96 151.88 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 120.677 0.275 . . . . 0.0 110.815 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.86 106.2 3.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.958 0.408 . . . . 0.0 110.677 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -137.97 149.66 46.33 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.527 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 99.0 p . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.899 179.675 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 37.2 t80 . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.768 0.318 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -56.64 -19.6 17.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -48.21 -34.88 10.84 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.447 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -28.74 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.275 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . 0.64 ' CH2' ' NE2' ' B' ' 336' ' ' GLN . 18.1 t90 -62.61 -44.78 95.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.134 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.27 -39.36 86.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.247 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.693 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.85 -42.37 99.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.51 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . 0.64 ' NE2' ' CH2' ' B' ' 332' ' ' TRP . 87.1 mt-30 -61.87 -43.23 99.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -65.75 -39.99 91.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.786 -179.445 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 12' ' ' TYR . . . . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.829 0.347 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' A' ' 11' ' ' ALA . 15.0 m-85 -158.4 136.0 10.32 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -118.44 130.08 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.761 0.315 . . . . 0.0 110.16 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -88.22 127.97 35.45 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.816 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.8 mt -121.27 108.55 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.138 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.98 174.39 15.55 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 57.4 40.03 27.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.761 0.315 . . . . 0.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.9 155.03 18.95 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.371 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -80.81 128.63 33.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.327 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -61.05 -22.58 64.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.37 -27.61 68.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 9.3 mp -77.99 128.93 34.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.2 p -96.04 -178.25 4.28 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -61.96 -42.18 98.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.409 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.32 -42.08 99.68 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -63.77 -47.27 81.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.759 0.314 . . . . 0.0 110.707 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.408 HD12 HG23 ' A' ' 27' ' ' ILE . 93.5 mt -62.28 -43.26 97.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.584 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' SER . 18.2 mt -55.73 -45.94 77.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.401 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.4 m -62.61 -40.74 97.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.412 . . . . 0.0 111.104 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.09 -48.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -86.8 -14.82 41.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.391 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.486 ' HG ' ' CA ' ' B' ' 319' ' ' TRP . 14.3 t -47.73 -57.53 5.44 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 34' ' ' TYR . 20.8 pt-20 -66.62 -11.77 55.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.496 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.672 ' CZ ' ' ND2' ' A' ' 71' ' ' ASN . 20.3 m-85 -114.04 33.62 5.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.33 70.51 0.89 Allowed Glycine 0 C--N 1.341 0.816 0 C-N-CA 120.147 -1.025 . . . . 0.0 111.631 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 7.3 p -56.9 122.52 53.17 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-O 120.987 0.422 . . . . 0.0 110.635 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.16 159.11 44.64 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 123.013 2.475 . . . . 0.0 112.38 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.4 m -98.53 -12.64 8.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.135 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -159.64 133.59 7.4 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 t -126.79 127.6 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -93.39 120.3 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 120.872 0.368 . . . . 0.0 110.724 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 4.0 mm? -100.35 97.79 8.51 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.99 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.53 ' OG ' ' CZ ' ' A' ' 54' ' ' PHE . 87.8 p -76.2 154.78 35.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.721 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.576 179.6 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.902 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CZ ' ' OG ' ' A' ' 43' ' ' SER . 10.3 p90 -142.32 148.92 38.77 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.719 0.295 . . . . 0.0 110.571 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.59 166.73 31.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.632 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -113.21 135.92 53.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.791 0.329 . . . . 0.0 110.623 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.35 133.51 50.93 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.193 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -114.75 110.05 19.13 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.697 0.284 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.535 ' CD2' ' OG ' ' A' ' 64' ' ' SER . 70.6 t80 -110.66 170.82 7.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.882 0.372 . . . . 0.0 110.084 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 39.2 tp10 -71.44 -56.68 5.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -109.82 122.56 47.79 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.944 0.402 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.9 pm0 -58.4 -14.93 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.275 0.56 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 mtm-85 -69.74 -26.0 64.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.535 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 92.7 p -67.61 -19.14 65.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.052 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 76.6 p -60.36 -27.11 67.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.404 HG23 HD11 ' A' ' 66' ' ' ILE . 97.0 mt -60.0 -39.01 79.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.373 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.404 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 13.1 mt -58.62 -63.45 1.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.499 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.0 89.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.986 0.422 . . . . 0.0 112.0 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 65' ' ' THR . 40.6 t -53.97 -53.67 26.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 59.8 p30 -87.61 -11.27 49.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.672 ' ND2' ' CZ ' ' A' ' 34' ' ' TYR . 17.6 t30 -94.05 -34.54 12.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.609 ' CD2' HD21 ' A' ' 71' ' ' ASN . 3.8 mm? -97.92 -27.92 14.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.678 0.275 . . . . 0.0 111.413 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -63.54 129.85 41.9 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.783 0.325 . . . . 0.0 110.534 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.34 3.17 67.42 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' B' ' 325' ' ' SER . 37.9 t80 -106.6 125.33 50.87 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 110.09 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -87.85 131.53 34.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.364 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.7 mt -131.64 126.34 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 120.797 0.332 . . . . 0.0 110.804 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.19 24.78 70.69 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.424 ' O ' ' CZ ' ' A' ' 80' ' ' ARG . . . 89.11 -10.53 72.63 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.424 ' CZ ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -125.66 146.48 49.71 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.423 -179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.58 126.68 45.61 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.663 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.04 150.97 41.93 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.899 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -110.85 123.91 51.04 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.48 113.32 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -131.2 143.94 50.97 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.844 0.354 . . . . 0.0 110.537 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -74.52 144.3 44.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.373 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 p -117.64 176.65 5.08 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.259 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 70.3 t80 -159.69 31.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.62 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.0 p90 . . . . . 0 N--CA 1.467 0.378 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.344 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.51 25.94 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 96.0 mt -97.04 117.55 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.4 mmt -92.96 146.83 32.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.9 138.84 41.68 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.775 2.317 . . . . 0.0 112.186 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -88.76 176.37 44.34 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 93.8 p -64.36 -23.77 67.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.69 -18.08 63.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.618 ' C ' ' H ' ' B' ' 321' ' ' GLY . 17.4 t90 -59.83 -20.59 57.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 30.7 t0 64.24 -27.61 0.09 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.422 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 110.02 10.59 22.27 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.542 ' C ' ' HE1' ' B' ' 319' ' ' TRP . 53.6 t -109.2 117.1 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-O 120.715 0.293 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -112.9 147.2 37.54 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.758 0.313 . . . . 0.0 110.736 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -98.45 127.76 44.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.106 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 325' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 75' ' ' PHE . 36.6 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.597 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 55.5 p90 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.746 0.308 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.55 -21.0 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.632 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -51.81 -18.78 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.629 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -54.01 -27.97 35.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -62.24 -50.62 71.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.393 . . . . 0.0 110.271 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -65.37 -38.13 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.055 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.8 95.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.77 -43.45 98.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.027 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -61.97 -42.26 98.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -70.88 -42.47 69.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 -179.84 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.669 0.271 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -122.08 148.96 44.22 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.918 0.389 . . . . 0.0 110.671 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -99.91 114.41 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -76.25 120.97 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.623 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.406 HG21 HD12 ' A' ' 15' ' ' ILE . 82.1 mt -116.82 120.95 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.167 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.77 -179.58 18.97 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.436 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 22.8 t-20 63.91 22.69 13.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.503 ' CD2' ' H ' ' A' ' 18' ' ' LEU . 2.0 pt? -102.19 151.26 22.41 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.124 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -73.95 135.38 43.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -60.79 -18.21 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.626 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -62.93 -31.98 73.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.84 123.66 18.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.08 0.467 . . . . 0.0 110.328 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -88.69 171.08 10.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.577 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.94 -40.2 94.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.183 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.23 98.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -60.76 -46.41 90.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.712 0.292 . . . . 0.0 110.618 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.78 -43.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.246 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.4 -43.18 83.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.161 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.577 ' CG2' HH21 ' B' ' 324' ' ' ARG . 86.3 m -62.94 -39.92 96.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.407 . . . . 0.0 110.43 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.3 t -64.26 -47.93 87.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.489 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -82.93 -13.63 55.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.889 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 29' ' ' THR . 85.4 p -45.03 -59.33 2.65 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.547 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 12.3 pt-20 -72.85 -27.36 61.88 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.263 0.554 . . . . 0.0 112.143 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -92.89 35.38 1.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.266 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.53 69.93 0.93 Allowed Glycine 0 C--N 1.341 0.827 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.543 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 8.3 p -55.84 120.61 34.42 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.784 -177.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -75.91 157.82 38.81 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 123.209 2.606 . . . . 0.0 112.569 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -93.67 -14.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.225 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 64.0 t0 -163.28 136.71 5.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.678 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 65.6 t -126.48 130.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.486 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.5 mt -108.34 126.28 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.778 0.323 . . . . 0.0 110.998 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.78 142.95 37.02 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.232 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -59.09 154.91 14.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.427 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.783 -179.502 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -144.09 153.99 42.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.727 0.299 . . . . 0.0 110.59 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.65 164.02 39.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.672 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.469 ' CD2' ' CD2' ' A' ' 89' ' ' TYR . 84.7 m-85 -126.75 141.23 51.89 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.84 140.27 47.77 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.945 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -130.38 109.39 10.7 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.243 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -115.12 158.2 22.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 120.811 0.338 . . . . 0.0 110.244 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.65 -43.56 93.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.454 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -103.16 143.6 32.4 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' O ' ' OG1' ' A' ' 65' ' ' THR . 55.6 mt-30 -88.25 -12.83 42.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.086 0.47 . . . . 0.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -68.06 -30.59 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.794 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.7 p -62.5 -22.89 66.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.972 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 62.8 p -61.33 -37.52 83.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.4 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.09 -45.12 91.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.001 0.429 . . . . 0.0 110.577 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.466 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 17.6 mt -64.42 -53.42 48.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.752 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.26 -37.58 67.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.805 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 52.2 t -60.95 -69.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.214 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 57.0 t0 -59.27 -33.1 70.65 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 23.6 m120 -67.77 -39.83 84.09 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.4 mt -107.33 -11.16 15.61 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 34.9 t30 -70.37 121.24 17.32 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 122.137 -0.352 . . . . 0.0 110.588 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.01 3.69 87.55 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -93.92 119.02 32.27 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -67.96 121.95 17.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.831 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.402 ' O ' ' CG2' ' A' ' 77' ' ' ILE . 15.5 tt -141.53 128.31 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.464 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.59 16.38 77.68 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.57 -8.02 79.2 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -136.98 159.58 41.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.609 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.94 129.02 45.24 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.76 155.0 22.04 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.24 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -111.48 122.41 47.77 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.425 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.3 mm -106.74 118.33 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.058 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -142.07 144.76 33.73 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.802 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -75.67 144.17 41.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.815 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.5 t -152.95 144.23 23.21 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.777 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -88.41 16.53 6.31 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.349 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.469 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 59.8 t80 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.474 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.68 79.73 6.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.264 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 31.0 mm -60.99 126.95 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.52 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 314' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.8 OUTLIER -74.81 149.69 85.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.171 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.13 155.78 66.98 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.902 2.401 . . . . 0.0 112.071 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -116.01 161.55 12.88 Favored Glycine 0 N--CA 1.47 0.929 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 47.9 t -61.99 -42.16 98.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.003 0.43 . . . . 0.0 111.032 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -62.28 -4.56 1.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.572 ' C ' ' H ' ' B' ' 321' ' ' GLY . 17.7 t90 -68.19 -5.95 20.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.284 0.564 . . . . 0.0 110.99 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 54.12 2.08 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.004 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 69.28 19.73 74.47 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.545 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 84.0 t -80.54 132.9 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.737 0.303 . . . . 0.0 110.595 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -69.04 129.65 40.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.839 0.352 . . . . 0.0 111.016 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . 0.577 HH21 ' CG2' ' A' ' 29' ' ' THR . 37.2 mmt180 -127.06 109.45 11.89 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 CA--C 1.516 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.709 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 54.5 p90 . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -63.32 -20.32 65.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.0 -28.94 59.43 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.817 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -54.48 -28.81 47.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.395 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -60.85 -45.75 93.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.144 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -63.93 -39.05 93.27 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.253 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.57 93.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.67 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -62.84 -47.92 81.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.616 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -62.47 -42.93 99.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -65.13 -37.59 87.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.926 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.738 -179.508 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.586 ' N ' HE21 ' A' ' 62' ' ' GLN . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.78 0.324 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.518 ' C ' ' OG1' ' A' ' 87' ' ' THR . 59.7 m-85 -121.74 153.17 38.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.613 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.3 pt -129.79 147.61 33.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.525 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -96.05 129.61 43.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.8 mt -122.12 119.22 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.414 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.29 -177.65 21.11 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 32.5 t-20 65.83 23.23 11.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.743 0.306 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' CD2' ' H ' ' A' ' 18' ' ' LEU . 1.8 pt? -105.23 159.88 15.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -69.92 128.87 37.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.47 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -63.53 -19.38 64.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.43 -29.52 70.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 8.2 mp -70.96 123.38 21.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.8 p -91.19 -174.34 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.479 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -60.36 -39.73 88.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.18 98.47 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.86 -41.42 99.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.618 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.23 -41.56 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.531 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.554 ' O ' ' OG ' ' A' ' 32' ' ' SER . 77.3 mt -58.6 -48.29 81.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.613 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m -62.11 -40.12 94.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.674 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.82 -50.88 77.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -87.54 -14.17 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 110.855 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.554 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 2.1 m -46.25 -60.22 2.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.072 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' OE1' ' NE1' ' B' ' 319' ' ' TRP . 11.7 pt-20 -65.87 -12.24 52.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.75 -177.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.548 ' CE1' ' OD1' ' A' ' 71' ' ' ASN . 55.3 m-85 -112.5 34.57 4.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.76 71.42 0.98 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.468 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 6.9 p -55.47 120.79 33.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.619 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -76.33 157.93 37.1 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 123.021 2.481 . . . . 0.0 112.216 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.7 m -92.24 -14.79 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.463 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -158.94 146.54 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.29 128.9 52.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -93.48 111.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -102.74 100.58 10.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.431 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 m -85.12 145.61 27.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -148.24 134.71 19.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.73 162.56 38.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.554 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -116.5 146.01 42.89 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tp -107.96 140.59 40.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.614 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -127.19 102.24 6.85 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.547 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 60' ' ' GLU . 5.6 t80 -121.61 145.17 48.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.603 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.544 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 51.6 tp10 -57.93 -49.63 76.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.731 -178.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -83.94 126.3 32.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.586 HE21 ' N ' ' A' ' 11' ' ' ALA . 92.3 mt-30 -85.84 -38.35 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -62.32 -28.28 69.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -64.62 -36.01 82.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 70.8 p -56.61 -22.97 37.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.549 -178.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.69 -42.24 84.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 5.7 mp -63.03 -46.95 85.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.624 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.61 -38.32 66.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.539 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 75.2 t -65.08 -69.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.727 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 51.9 t0 -59.51 -16.21 23.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.847 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.548 ' OD1' ' CE1' ' A' ' 34' ' ' TYR . 6.2 m120 -89.33 -50.51 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.019 -177.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.69 20.05 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.842 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 7.6 t-20 -81.82 106.8 14.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.488 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.25 -0.95 86.82 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.62 ' CZ ' ' O ' ' B' ' 325' ' ' SER . 48.9 t80 -66.72 128.5 36.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.366 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -81.39 128.84 34.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.6 mt -143.5 109.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.26 16.3 76.63 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.85 -4.34 63.22 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -123.18 148.25 45.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.785 0.326 . . . . 0.0 110.659 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -96.56 135.65 38.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.17 147.12 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.593 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -120.03 101.2 7.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.481 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mm -98.66 136.96 27.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.399 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -156.84 157.29 34.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.54 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -81.87 151.63 27.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.518 ' OG1' ' C ' ' A' ' 12' ' ' TYR . 56.8 p -128.9 -51.27 1.23 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.687 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 55.74 25.05 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.482 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 89' ' ' TYR . 3.1 p90 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.634 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . 0.481 ' CE1' ' HG ' ' A' ' 67' ' ' LEU . 75.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.686 0.279 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -93.28 4.36 54.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 85.6 mt -74.58 117.93 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.595 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 314' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.0 OUTLIER -95.55 155.1 39.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.82 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -55.1 141.9 78.61 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 123.056 2.504 . . . . 0.0 111.999 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -96.16 162.56 22.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 94.8 p -62.77 -25.19 68.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 0.0 110.661 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -68.38 -14.93 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.653 ' C ' ' H ' ' B' ' 321' ' ' GLY . 18.9 t90 -63.36 -11.13 20.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.627 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 46.2 t0 58.82 -5.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.664 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.653 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 78.55 13.26 83.39 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.536 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 43.8 t -70.96 127.57 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.476 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -69.12 132.33 46.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.667 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -135.95 115.77 13.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.441 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 325' ' ' SER . . . . . 0.62 ' O ' ' CZ ' ' A' ' 75' ' ' PHE . 27.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.656 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 20.7 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.826 0.346 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -57.56 -25.45 59.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -53.58 -28.3 31.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.59 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -32.73 55.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.586 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -61.17 -46.98 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.648 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.39 -38.55 91.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.471 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.05 91.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -63.58 -45.2 91.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -63.61 -40.01 95.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -60.26 -41.95 94.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.66 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.858 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -131.8 160.35 35.84 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.559 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 pt -135.42 143.98 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.249 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.489 ' N ' ' OG1' ' A' ' 87' ' ' THR . 66.6 t80 -93.91 120.91 34.8 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -112.6 118.88 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.96 -178.46 15.42 Favored Glycine 0 N--CA 1.468 0.795 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 53.67 41.51 32.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.73 0.3 . . . . 0.0 110.422 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.46 156.97 16.51 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -73.89 146.97 43.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -65.58 -40.62 92.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.558 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.89 -30.16 71.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.675 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.88 113.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.45 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.9 p -95.93 -179.52 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.435 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -60.7 -44.15 96.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.273 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.28 -42.23 99.72 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.0 -42.64 98.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 0.0 110.697 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.72 -43.48 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.503 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 32' ' ' SER . 14.1 mt -58.19 -46.12 86.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.4 m -61.61 -40.23 94.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.057 0.456 . . . . 0.0 111.294 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.89 -50.02 81.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -90.1 -13.32 36.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.107 0.479 . . . . 0.0 111.386 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.2 t -44.55 -56.73 4.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.808 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 16.3 tm-20 -63.27 -26.44 68.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.0 111.198 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.453 ' OH ' ' O ' ' B' ' 325' ' ' SER . 66.5 m-85 -94.52 33.93 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.274 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.97 71.97 1.11 Allowed Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.172 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 p -55.34 129.82 68.94 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.964 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.46 162.48 41.31 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 123.407 2.738 . . . . 0.0 111.638 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -90.33 -14.42 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.516 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -167.33 149.5 5.94 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.5 t -131.5 128.73 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.167 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.406 HG23 HD11 ' A' ' 41' ' ' ILE . 94.6 mt -103.5 113.84 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.977 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 mt -113.05 101.33 9.36 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.035 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.6 m -86.27 148.58 25.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.722 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.1 ptt85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.47 179.612 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.791 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -82.62 154.03 25.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.827 0.346 . . . . 0.0 110.446 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.03 156.79 36.56 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -122.05 124.72 44.63 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.883 0.373 . . . . 0.0 110.19 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.99 133.68 45.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.621 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -96.19 103.53 15.43 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.839 0.352 . . . . 0.0 110.347 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.439 ' OH ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -92.93 131.73 37.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.434 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.16 -41.45 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.455 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -109.24 130.51 55.49 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -75.11 -27.06 59.71 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.729 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -78.52 -33.13 48.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.727 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.1 t -61.99 -38.17 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.634 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.7 p -47.5 -29.5 2.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.59 -41.81 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.715 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 83.1 mt -58.59 -50.39 73.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.142 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.56 93.1 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 54.0 t -49.9 -70.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.304 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.96 -38.25 81.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 111.947 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 98.6 m-20 -65.21 -43.79 90.42 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 4.1 mm? -95.65 -22.22 17.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.852 0.358 . . . . 0.0 111.564 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 19.8 t-20 -62.65 117.69 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 0.0 110.654 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.77 -9.71 76.25 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.525 ' CE1' ' CB ' ' B' ' 325' ' ' SER . 66.1 t80 -77.37 125.63 29.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.594 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -79.21 123.8 27.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.838 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.3 tt -138.03 130.16 39.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.439 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.89 11.95 70.38 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.12 -20.01 52.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -118.5 140.62 49.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.938 0.399 . . . . 0.0 110.456 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.21 131.03 35.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.07 156.19 17.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.384 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -123.86 122.02 36.89 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.96 126.19 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.903 0.382 . . . . 0.0 110.522 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -132.17 158.2 42.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -67.91 137.73 55.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.568 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.489 ' OG1' ' N ' ' A' ' 14' ' ' TYR . 21.7 m -133.4 129.97 38.09 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.038 0.447 . . . . 0.0 110.231 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -100.15 31.92 3.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.469 -179.614 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' B' ' 311' ' ' PHE . 12.9 m-85 . . . . . 0 N--CA 1.459 -0.008 0 CA-C-O 120.78 0.324 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -153.9 45.68 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.513 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . 0.402 HG23 HD13 ' B' ' 313' ' ' ILE . 13.0 mm -76.47 122.03 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.259 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.1 mtm -75.85 153.67 85.01 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.329 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.07 141.07 69.69 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.989 2.459 . . . . 0.0 112.181 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -84.34 149.1 24.61 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 74.0 m -64.45 -38.84 92.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.937 0.398 . . . . 0.0 110.624 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.53 2.01 8.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.593 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.8 t90 -60.69 -14.83 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.138 0.494 . . . . 0.0 111.123 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 53.97 2.13 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.593 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 72.01 16.55 76.67 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.523 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 72.6 t -74.24 141.25 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 110.658 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -68.13 145.41 54.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . 0.445 ' HD2' ' H ' ' B' ' 324' ' ' ARG . 0.1 OUTLIER -139.08 151.71 46.94 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.565 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 325' ' ' SER . . . . . 0.525 ' CB ' ' CE1' ' A' ' 75' ' ' PHE . 97.4 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.714 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.827 0.346 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -58.9 -20.97 56.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.8 -28.49 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.589 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -52.34 -36.51 53.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -62.78 -44.67 95.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -64.76 -35.68 81.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -58.75 -47.07 85.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -67.23 -37.37 83.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.287 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.69 -42.71 97.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.559 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -68.27 -36.06 78.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.936 0.398 . . . . 0.0 110.748 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.224 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.84 0.353 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -134.28 140.84 46.7 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.682 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.87 119.32 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -82.75 122.48 28.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.202 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -109.77 126.48 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.491 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.22 172.17 22.52 Favored Glycine 0 N--CA 1.468 0.787 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 55.27 37.86 29.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.8 0.333 . . . . 0.0 110.54 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -94.72 145.12 25.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -81.12 138.72 35.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -59.23 -21.3 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.654 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -66.33 -21.78 66.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -85.08 124.59 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.368 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -106.89 -171.81 1.96 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.97 -42.15 99.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.489 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.0 -41.15 98.7 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -62.25 -42.36 99.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.95 -41.59 90.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.388 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.34 -43.98 88.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.447 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.6 m -62.07 -42.75 99.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.86 -50.76 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.022 0.439 . . . . 0.0 111.64 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.527 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 30.0 m-85 -77.1 -18.63 57.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.213 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' B' ' 319' ' ' TRP . 8.8 t -64.77 -17.26 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.133 0.492 . . . . 0.0 111.975 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.85 -35.7 79.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.061 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.527 ' OH ' ' CD2' ' A' ' 31' ' ' PHE . 35.2 p90 -123.74 41.3 3.52 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.2 81.96 1.39 Allowed Glycine 0 N--CA 1.477 1.414 0 C-N-CA 119.626 -1.273 . . . . 0.0 113.075 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.473 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 15.0 p -55.63 133.37 71.7 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-O 121.006 0.431 . . . . 0.0 110.517 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.8 149.13 85.17 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 123.068 2.512 . . . . 0.0 112.302 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.7 p -92.8 -25.61 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.896 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 66.2 t0 -153.6 130.78 11.14 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 21.0 t -124.22 129.33 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.1 mt -105.38 121.17 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 120.925 0.393 . . . . 0.0 110.944 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 4.1 mm? -100.34 108.76 20.88 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.9 t -74.56 113.63 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 120.872 0.367 . . . . 0.0 110.455 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -167.32 160.79 13.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.744 0.307 . . . . 0.0 110.695 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.64 165.55 35.19 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.798 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -115.73 142.6 46.53 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mt -118.66 131.41 56.16 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.501 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -131.06 113.3 13.76 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.19 0.306 . . . . 0.0 110.532 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 16.5 t80 -115.94 146.74 41.83 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.313 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -53.46 -19.03 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -120.55 121.93 39.47 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.857 0.36 . . . . 0.0 110.727 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' OG1' ' A' ' 65' ' ' THR . 29.3 pt20 -77.79 -21.08 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.783 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -62.69 -29.25 70.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -59.56 -31.01 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.574 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 70.4 p -60.45 -36.19 77.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.525 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.08 -48.43 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.675 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.09 -38.01 89.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.004 0.431 . . . . 0.0 110.574 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.44 65.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.324 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.53 -19.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.043 0.449 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 70' ' ' ASP . 52.8 t0 -71.54 -32.59 68.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -116.02 -40.0 3.37 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.94 -26.1 56.56 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -67.74 121.12 15.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.934 0.397 . . . . 0.0 110.461 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.35 11.6 84.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -104.46 133.0 50.07 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.775 0.322 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -79.82 112.73 17.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.62 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.52 ' O ' ' C ' ' A' ' 78' ' ' GLY . 1.2 tp -96.47 118.64 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.538 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 77' ' ' ILE . . . 24.01 57.03 0.05 OUTLIER Glycine 0 N--CA 1.474 1.228 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.34 -113.94 1.23 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -91.54 171.12 9.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.817 0.342 . . . . 0.0 110.974 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.11 138.6 34.74 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.027 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 154.14 20.25 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -99.51 117.74 34.56 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.9 mm -111.69 126.14 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -157.94 149.79 21.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.685 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -83.51 151.0 25.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.264 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 t -146.08 157.04 43.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -104.19 11.82 34.55 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.242 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 32.7 t80 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.827 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.226 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -79.48 89.67 5.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 65.1 mt -90.61 133.08 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 15.2 mmt -61.67 144.01 93.31 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.44 157.4 56.55 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.939 2.426 . . . . 0.0 112.188 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -93.99 153.47 21.17 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 71.0 m -62.07 -38.17 87.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 0.0 110.782 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -58.55 -13.64 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.576 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.7 t90 -61.66 -16.4 48.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.228 0.537 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 55.29 1.67 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 70.48 21.41 77.55 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 44.0 t -68.47 147.22 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.318 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -68.53 111.29 4.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -134.05 149.84 51.17 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.878 0.37 . . . . 0.0 110.226 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 17.2 t . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.692 -179.897 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 C--O 1.226 -0.178 0 CA-C-O 121.054 0.454 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.417 ' H ' ' CD ' ' B' ' 329' ' ' GLU . 48.2 mp0 -60.15 -19.5 54.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.061 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' B' ' 331' ' ' LYS . 21.1 pt-20 -43.76 -41.75 5.09 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.95 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' B' ' 330' ' ' GLU . 11.0 ptpt -71.3 -33.84 70.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.394 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -62.16 -47.41 84.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -64.19 -38.75 92.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.252 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.46 96.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -62.03 -41.77 98.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.196 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -64.43 -39.14 93.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 110.159 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -62.78 -39.03 92.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.073 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.727 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.825 0.345 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -130.15 161.41 31.18 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.506 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.56 131.01 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.136 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.457 ' N ' ' HG1' ' A' ' 87' ' ' THR . 57.2 t80 -91.33 130.66 37.16 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.495 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -109.61 123.84 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.87 172.83 17.09 Favored Glycine 0 N--CA 1.467 0.726 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 54.38 38.55 29.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.876 0.37 . . . . 0.0 110.764 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.35 141.81 35.66 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.538 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -78.45 140.97 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.26 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.28 -24.71 66.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.18 -29.1 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.4 132.13 47.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -107.34 170.91 7.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.12 -41.24 96.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.33 -43.22 98.71 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.65 -44.73 95.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.788 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.49 -43.92 97.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.489 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 32' ' ' SER . 15.4 mt -57.14 -43.74 82.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.297 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.4 m -63.06 -40.4 97.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.87 0.367 . . . . 0.0 110.499 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.3 -48.8 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.022 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -85.87 -14.59 44.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.213 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' LEU . 4.1 t -44.92 -53.86 7.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.72 -178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -66.88 -38.24 85.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 111.676 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -81.51 33.52 0.36 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.566 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' CZ ' ' A' ' 59' ' ' TYR . . . 96.09 74.05 1.2 Allowed Glycine 0 N--CA 1.465 0.59 0 C-N-CA 119.962 -1.113 . . . . 0.0 111.185 -179.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 p -53.24 126.11 44.29 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 121.082 0.467 . . . . 0.0 111.021 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.9 162.4 37.39 Favored 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 123.323 2.682 . . . . 0.0 112.332 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -90.91 -16.17 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -165.52 156.8 14.18 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.93 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 t -134.06 137.04 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.1 mt -115.91 118.98 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -113.79 127.76 56.14 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.4 m -70.06 132.24 45.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.705 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.527 179.825 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -121.57 149.68 42.78 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.144 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.5 140.62 15.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -121.19 125.08 46.26 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.136 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -92.07 143.44 26.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.056 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -108.44 101.71 10.87 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.437 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 1.2 m-85 -100.05 132.83 45.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -70.2 -40.83 74.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.986 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -108.45 130.88 55.24 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.408 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.47 ' O ' ' OG1' ' A' ' 65' ' ' THR . 18.5 pt20 -77.29 -19.06 56.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -70.78 -41.14 72.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 110.937 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -63.16 -36.14 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.823 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 70.8 p -51.81 -34.88 42.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.476 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.41 ' N ' ' HG1' ' A' ' 65' ' ' THR . 93.8 mt -62.49 -43.21 98.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 120.817 0.341 . . . . 0.0 110.454 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 27.5 mt -59.9 -50.93 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.052 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.31 79.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 51.1 t -56.76 -67.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.292 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.37 -36.17 82.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.877 0.37 . . . . 0.0 111.763 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 99.1 m-20 -62.78 -49.82 73.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 3.8 mm? -85.5 -28.38 25.01 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.832 0.349 . . . . 0.0 111.68 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 34.2 t30 -62.66 118.76 8.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.563 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.48 -18.86 34.86 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -86.94 133.3 33.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.827 0.346 . . . . 0.0 110.323 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -88.6 126.67 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.247 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.7 mt -135.66 129.53 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.413 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.09 19.09 79.83 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.41 -4.69 85.23 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -134.95 158.09 45.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.69 116.98 29.5 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.468 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.04 154.85 40.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.269 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -117.06 121.37 41.13 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.775 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mm -102.29 121.98 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 66.0 t0 -136.64 140.02 42.48 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.712 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.495 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 38.8 m170 -63.92 140.08 58.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.446 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.457 ' HG1' ' N ' ' A' ' 14' ' ' TYR . 95.0 m -125.94 130.97 52.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.573 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -105.13 7.25 33.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.638 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.466 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.17 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -94.41 78.12 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.502 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . 0.401 HG22 HD13 ' B' ' 313' ' ' ILE . 33.0 mm -62.42 134.89 27.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.176 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 21.2 mmt -78.76 121.31 83.35 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.385 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.46 139.58 45.92 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 123.106 2.537 . . . . 0.0 112.319 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -97.59 166.94 23.05 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 60.0 p -68.31 -23.49 64.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.708 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -63.42 -21.18 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.996 0.427 . . . . 0.0 110.713 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.593 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.3 t90 -61.23 -18.11 56.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.049 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 56.27 0.06 0.06 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.593 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 73.68 16.05 79.23 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.469 ' CG1' ' HD1' ' B' ' 323' ' ' HIS . 54.5 t -65.44 149.25 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 110.387 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . 0.493 ' HD1' ' N ' ' B' ' 323' ' ' HIS . 0.0 OUTLIER -67.03 138.45 57.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.714 -179.554 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.15 147.71 38.88 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.485 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.467 0.405 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.337 179.591 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' B' ' 330' ' ' GLU . 71.4 t80 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.791 0.329 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 15.3 pm0 -43.46 -22.03 0.04 OUTLIER 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 111.048 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' B' ' 328' ' ' PHE . 14.7 tm-20 -56.14 -19.98 15.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.077 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.461 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.0 OUTLIER -57.91 -47.72 82.01 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.511 -179.104 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' B' ' 329' ' ' GLU . 68.8 p-90 -85.29 -23.3 28.21 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 111.194 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -65.62 -37.1 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.574 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.18 -47.96 83.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.502 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -67.16 -43.51 82.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.162 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -61.2 -48.6 80.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.685 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -65.94 -38.06 87.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.712 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 -179.553 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 120.723 0.296 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -129.13 146.64 51.02 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.688 0.28 . . . . 0.0 110.986 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -97.92 121.73 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -81.62 121.03 25.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.802 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -111.31 118.63 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -116.14 179.07 17.75 Favored Glycine 0 N--CA 1.47 0.959 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 11.0 t30 56.16 43.76 26.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.773 0.32 . . . . 0.0 110.237 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 tt -96.37 122.15 38.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.397 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.416 ' ND2' ' CG ' ' A' ' 21' ' ' GLU . 65.8 t30 -77.51 143.13 38.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.692 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -58.93 -18.29 32.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.445 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' CG ' ' ND2' ' A' ' 19' ' ' ASN . 81.1 mm-40 -67.06 -29.61 69.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -84.59 133.58 34.42 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.498 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -107.78 -179.22 3.84 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.94 -40.51 97.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.82 -41.19 99.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.38 -43.23 98.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.47 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.08 -43.63 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.211 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.1 mt -57.63 -46.51 84.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.324 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.0 m -59.15 -42.01 89.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.109 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.06 -49.71 83.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.413 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -82.41 -14.52 55.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.88 0.372 . . . . 0.0 111.507 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LEU . 47.3 t -50.15 -55.88 13.26 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.82 -17.63 64.04 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.086 0.47 . . . . 0.0 111.761 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -106.99 33.03 4.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.57 71.82 1.03 Allowed Glycine 0 C--N 1.338 0.661 0 C-N-CA 119.817 -1.182 . . . . 0.0 111.249 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 8.0 p -52.85 125.41 39.05 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.795 -177.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 59.1 Cg_endo -73.7 159.27 45.94 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 123.257 2.638 . . . . 0.0 111.983 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.8 m -95.15 -16.22 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.448 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -160.66 133.45 6.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.707 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.9 t -125.98 124.06 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 120.735 0.303 . . . . 0.0 110.381 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 41' ' ' ILE . 76.6 mt -98.65 120.67 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.286 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -109.09 109.66 20.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.145 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -71.33 132.95 45.62 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.489 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 . . . . . 0 N--CA 1.464 0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -150.34 160.56 43.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 110.428 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.74 164.87 38.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.541 ' CD1' ' CE1' ' A' ' 89' ' ' TYR . 94.1 m-85 -104.95 137.23 43.03 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.759 0.314 . . . . 0.0 110.447 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 tt -111.37 126.12 54.58 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.025 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 0.9 OUTLIER -98.41 109.01 21.84 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.962 0.411 . . . . 0.0 110.267 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 30.7 p90 -98.31 160.6 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.04 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -89.72 -44.42 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' O ' ' OG ' ' A' ' 64' ' ' SER . 68.0 m-20 -109.12 141.02 41.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.737 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -64.51 -32.26 73.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.961 0.41 . . . . 0.0 110.636 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -59.99 -24.37 64.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.668 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.472 ' HG ' ' N ' ' A' ' 65' ' ' THR . 99.2 p -63.54 -35.56 80.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.552 ' HG1' ' N ' ' A' ' 66' ' ' ILE . 43.4 p -64.07 -39.73 94.71 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.663 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.552 ' N ' ' HG1' ' A' ' 65' ' ' THR . 96.8 mt -63.86 -43.81 97.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.278 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.2 mt -57.23 -51.87 67.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.823 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.64 -61.46 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.022 0.439 . . . . 0.0 111.796 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 p -49.38 -19.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.049 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -85.9 -49.28 7.99 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -98.58 -38.21 9.24 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 3.0 mm? -75.74 -14.84 60.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.037 0.446 . . . . 0.0 111.212 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -79.56 113.88 18.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.756 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.18 7.64 79.77 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -86.67 129.06 35.01 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.904 0.383 . . . . 0.0 110.687 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.43 119.11 19.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.759 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 77' ' ' ILE . 14.6 tt -137.63 126.63 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.422 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.87 17.11 73.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.66 81.13 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -122.27 146.16 47.55 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.828 0.347 . . . . 0.0 110.604 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.531 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -77.44 138.54 39.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.416 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mt -81.69 144.07 31.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.793 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -129.55 101.64 6.02 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.11 135.92 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.418 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 56.4 t0 -154.04 141.45 19.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.635 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.43 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 42.5 m170 -75.58 141.54 42.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.701 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.4 t -146.24 150.0 34.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.626 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -118.8 24.42 10.87 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.541 ' CE1' ' CD1' ' A' ' 56' ' ' TYR . 1.5 p90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.295 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 120.886 0.374 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -134.04 68.56 1.48 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.83 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . 0.409 HD13 HG22 ' B' ' 313' ' ' ILE . 24.2 mm -99.29 125.19 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 6.1 ptp -72.34 149.93 91.62 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -70.68 151.2 63.65 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.918 2.412 . . . . 0.0 112.003 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -110.26 157.05 15.25 Favored Glycine 0 N--CA 1.468 0.828 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 45.8 t -62.23 -39.26 92.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 110.472 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.73 -10.22 34.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.496 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.577 ' C ' ' H ' ' B' ' 321' ' ' GLY . 17.7 t90 -61.54 -16.63 49.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.337 0.589 . . . . 0.0 111.077 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 55.05 1.02 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.768 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 75.03 16.74 80.43 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.528 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 82.0 t -76.14 140.04 17.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.525 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.35 125.93 33.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -137.44 108.19 6.63 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.576 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 t80 . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -62.17 -21.15 64.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.622 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -49.13 -28.97 4.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.46 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -56.85 -34.36 67.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.715 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -62.61 -48.85 77.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.775 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -63.69 -39.05 93.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.18 94.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.198 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -72.38 -34.15 67.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -61.04 -30.42 70.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -83.2 -42.28 17.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.659 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 N--CA 1.464 0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.893 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.542 ' O ' ' CD1' ' A' ' 12' ' ' TYR . . . . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 120.702 0.286 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 11' ' ' ALA . 38.1 m-85 -153.17 153.23 32.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -110.87 130.75 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -86.27 125.78 33.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.3 mt -121.85 125.24 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.355 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.38 178.45 17.36 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 57.05 40.54 28.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.814 0.34 . . . . 0.0 110.616 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -100.7 153.75 19.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.477 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.435 ' OD1' ' OE2' ' A' ' 21' ' ' GLU . 1.2 m-80 -74.59 136.29 42.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.296 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -60.43 -44.37 95.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.747 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' OE2' ' OD1' ' A' ' 19' ' ' ASN . 18.7 pm0 -66.87 -11.87 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.494 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.73 126.61 28.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.467 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -104.23 172.36 6.84 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.665 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -61.71 -36.32 80.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.462 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.03 -45.81 93.37 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.67 -44.97 88.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.544 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.46 -43.96 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 32' ' ' SER . 16.9 mt -58.22 -42.79 87.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.4 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.3 m -63.54 -41.42 98.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.0 t -67.49 -45.13 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.956 0.407 . . . . 0.0 111.014 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -86.2 -14.88 42.64 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 111.113 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LEU . 1.7 m -47.81 -57.16 5.97 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.036 0.446 . . . . 0.0 111.502 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -69.87 -30.26 67.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.253 0.549 . . . . 0.0 111.106 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -90.31 34.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.182 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.49 73.32 1.13 Allowed Glycine 0 N--CA 1.465 0.583 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.481 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 9.9 p -54.37 118.9 17.72 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-O 120.958 0.409 . . . . 0.0 110.67 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.46 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 60.2 Cg_endo -75.15 159.14 41.14 Favored 'Trans proline' 0 N--CA 1.505 2.161 0 C-N-CA 123.676 2.917 . . . . 0.0 111.803 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 m -92.62 -22.25 5.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -150.09 142.17 24.0 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.733 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.1 t -135.16 132.82 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.766 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.3 mt -117.46 123.15 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-O 120.692 0.282 . . . . 0.0 110.696 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.75 143.11 40.02 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.773 0.32 . . . . 0.0 110.62 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.8 t -59.05 157.59 9.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 . . . . . 0 N--CA 1.469 0.475 0 CA-C-O 120.781 0.324 . . . . 0.0 110.788 -179.31 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.868 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -129.13 160.2 33.61 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.958 0.408 . . . . 0.0 110.38 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.69 153.91 32.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CE2' ' CE2' ' A' ' 89' ' ' TYR . 61.9 m-85 -106.88 145.15 32.52 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.285 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -123.63 132.14 53.79 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.994 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 84.5 tttt -105.45 107.71 18.84 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 110.319 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.444 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 28.3 p90 -96.94 158.31 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.815 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -88.73 -38.56 14.62 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 10.0 p-10 -116.38 140.05 49.76 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.783 0.325 . . . . 0.0 110.628 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -62.63 -29.66 70.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -59.36 -26.6 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.717 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.7 m -60.11 -37.92 81.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.1 p -63.51 -40.17 96.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.414 HD11 HG23 ' A' ' 66' ' ' ILE . 96.9 mt -65.04 -42.29 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.091 0.472 . . . . 0.0 110.796 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD2' ' CD1' ' B' ' 311' ' ' PHE . 47.9 mt -65.89 -38.79 89.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.071 0.463 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.98 65.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.092 0.472 . . . . 0.0 111.191 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.39 -19.32 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.156 0.503 . . . . 0.0 110.612 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.96 -46.31 62.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.804 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' B' ' 325' ' ' SER . 54.7 t30 -115.82 -42.55 3.08 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -177.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.08 10.72 1.77 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.926 0.393 . . . . 0.0 111.196 -177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -86.62 110.51 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.35 9.08 87.32 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -54.26 131.26 41.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.6 0.238 . . . . 0.0 110.467 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.46 106.02 15.73 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.4 mt -141.35 125.42 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.906 0.384 . . . . 0.0 110.278 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.53 18.52 79.96 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.36 3.56 89.93 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -125.31 153.39 43.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 110.566 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.52 124.48 40.53 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.03 142.84 58.23 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.786 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -118.67 101.6 8.23 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.096 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.425 HG22 HD11 ' A' ' 84' ' ' ILE . 17.0 mm -98.26 132.75 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.634 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.62 143.45 14.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.688 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -73.53 145.62 45.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.573 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -147.35 146.38 29.64 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.68 8.5 44.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.326 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.632 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 64.3 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.506 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . 0.453 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 11.5 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.892 0.377 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -123.89 45.38 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . 0.404 HG23 HD12 ' B' ' 313' ' ' ILE . 23.8 mm -89.63 116.17 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.136 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 314' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.2 OUTLIER -77.5 147.82 75.95 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.36 165.4 31.79 Favored 'Trans proline' 0 N--CA 1.503 2.031 0 C-N-CA 123.404 2.736 . . . . 0.0 111.978 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -135.43 171.14 22.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 42.7 t -69.79 -41.16 75.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.021 0.439 . . . . 0.0 110.87 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -60.21 -23.48 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.65 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.5 t90 -59.07 -20.79 56.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 110.787 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.29 -28.57 0.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.65 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 100.4 15.1 30.88 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 4.3 p -62.84 138.6 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.614 0.245 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -82.83 129.63 35.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.803 0.335 . . . . 0.0 110.575 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . 0.719 ' NE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -135.99 108.45 7.38 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.343 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 325' ' ' SER . . . . . 0.442 ' HG ' ' C ' ' B' ' 324' ' ' ARG . 66.8 m . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.648 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 46.3 p90 . . . . . 0 C--O 1.226 -0.135 0 CA-C-O 120.726 0.298 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -61.37 -18.71 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.133 0.492 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.18 -37.56 69.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.5 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.413 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 54.7 pttt -60.97 -38.12 84.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.366 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . 0.413 ' N ' ' CG ' ' B' ' 331' ' ' LYS . 76.9 t90 -61.74 -48.08 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.321 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -65.08 -38.93 92.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.372 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.85 98.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.687 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -60.75 -44.37 96.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.391 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -64.02 -40.96 97.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.438 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -66.15 -35.21 79.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.685 -179.407 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.81 0.338 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -131.38 138.25 49.05 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.739 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -128.64 142.87 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.025 0.441 . . . . 0.0 110.173 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -93.92 117.59 30.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.0 mt -112.27 115.14 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.42 -179.9 16.52 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 63.96 32.32 13.18 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.932 0.396 . . . . 0.0 110.714 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.62 139.3 39.1 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.451 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.44 138.09 58.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.241 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -60.17 -19.17 52.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.22 -29.72 70.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.85 125.18 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.261 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.8 p -106.32 -173.94 2.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.634 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.44 -39.95 89.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.625 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.32 -44.83 97.13 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.99 -48.53 78.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 111.051 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.96 -45.96 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.324 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' OG ' ' A' ' 32' ' ' SER . 14.1 mt -59.86 -48.66 80.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.0 m -63.49 -42.42 98.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.049 0.452 . . . . 0.0 110.994 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.7 -48.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.164 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -85.74 -15.97 40.42 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.476 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 3.2 m -46.49 -58.06 4.13 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.894 0.378 . . . . 0.0 111.687 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -65.58 -26.29 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.03 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.498 ' OH ' ' O ' ' B' ' 324' ' ' ARG . 58.5 m-85 -100.74 34.76 2.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.672 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.44 72.02 0.95 Allowed Glycine 0 C--N 1.34 0.786 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.21 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 9.9 p -56.38 124.47 61.49 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-O 120.955 0.407 . . . . 0.0 110.848 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.69 159.47 35.18 Favored 'Trans proline' 0 N--CA 1.489 1.214 0 C-N-CA 123.06 2.507 . . . . 0.0 112.525 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -90.47 -16.87 8.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.645 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -173.27 155.92 3.02 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.722 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -140.47 150.53 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.657 0.265 . . . . 0.0 110.33 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.4 mt -111.04 119.39 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.855 0.36 . . . . 0.0 110.314 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 4.3 mm? -96.7 108.04 20.61 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.0 t -74.92 125.89 29.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 . . . . . 0 C--N 1.333 -0.15 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.47 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.43 160.52 26.44 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.96 163.93 39.11 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.656 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -111.79 120.86 43.41 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.132 0.492 . . . . 0.0 110.559 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.87 144.03 26.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.506 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -120.9 106.31 11.51 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.9 0.381 . . . . 0.0 110.674 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.615 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 47.5 t80 -114.25 167.15 10.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.306 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.615 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 81.3 mm-40 -75.46 -59.0 2.94 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 95.4 m-20 -115.45 130.1 56.78 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.838 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.435 ' O ' ' OG1' ' A' ' 65' ' ' THR . 19.0 pt20 -59.77 -22.43 62.1 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.932 0.396 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -60.5 -22.07 63.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.601 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.562 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 82.9 p -78.26 -35.68 47.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.901 0.381 . . . . 0.0 111.383 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 39.9 p -65.28 -32.51 74.2 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.732 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.9 tt -48.54 -31.76 3.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.43 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 8.9 mt -70.29 -53.39 17.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.159 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.0 79.1 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.686 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.428 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 74.5 t -59.74 -49.41 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.314 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -86.2 -11.09 53.39 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 90.0 m-20 -100.59 -14.65 18.09 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.3 mt -120.73 -16.34 8.23 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.005 0.431 . . . . 0.0 111.595 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.551 HD22 ' HZ3' ' A' ' 83' ' ' LYS . 14.5 t-20 -68.49 116.84 9.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.33 7.76 79.1 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -94.58 124.65 38.74 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 110.337 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -76.49 130.1 37.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.73 130.1 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 66.97 23.1 72.67 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.71 -8.9 79.11 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -134.45 155.45 50.32 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 122.622 -0.34 . . . . 0.0 110.78 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.55 135.63 40.68 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.707 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.556 ' H ' ' CD2' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -93.7 156.22 16.81 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.551 ' HZ3' HD22 ' A' ' 73' ' ' ASN . 42.4 tptt -123.43 126.8 47.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.98 135.54 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.36 0.6 . . . . 0.0 109.925 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 40.4 t0 -150.2 149.0 29.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.796 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.459 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 47.1 m-70 -78.61 130.46 35.94 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.13 -30.73 4.59 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.781 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 54.25 31.22 13.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.397 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.875 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 311' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 8.8 m-85 . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 120.865 0.364 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -141.51 44.75 1.73 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.68 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 82.4 mt -84.37 123.22 38.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 314' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.0 OUTLIER -68.43 148.34 98.16 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.238 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.67 159.71 48.06 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 123.033 2.489 . . . . 0.0 112.192 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -103.36 153.25 18.02 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 88.8 p -61.72 -36.43 80.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.575 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -66.25 -3.9 6.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 319' ' ' TRP . . . . . 0.661 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.1 t90 -63.11 -14.77 52.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.23 0.538 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 28.0 t0 62.94 -20.01 0.05 Allowed 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.759 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . 0.661 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 92.2 9.52 61.92 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 322' ' ' VAL . . . . . 0.402 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 80.5 t -71.09 135.11 28.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.841 0.353 . . . . 0.0 110.412 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -81.05 120.91 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.359 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . 0.498 ' O ' ' OH ' ' A' ' 34' ' ' TYR . 11.2 mmp_? -132.71 106.32 7.7 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.779 179.906 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.731 0.301 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.44 -19.82 50.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.401 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -48.45 -31.05 5.74 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.461 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -56.27 -28.57 59.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.399 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -60.9 -44.99 96.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.14 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -64.04 -39.53 94.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.218 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.55 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.502 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.28 -39.22 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.368 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -65.41 -24.67 67.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.65 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -86.88 -41.43 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.113 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.781 179.695 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.06 65.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 110.689 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.1 mmt -82.1 140.34 33.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.479 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.04 -9.87 75.89 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -116.69 -46.91 2.73 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.74 0.305 . . . . 0.0 110.505 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 43.51 81.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.832 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -68.51 146.25 53.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 10' ' ' ASN . 28.3 mmtp -79.56 -150.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.413 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 26.3 p-10 -58.44 76.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 8' ' ' LYS . 51.1 t30 -127.27 37.29 4.28 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.886 0.374 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.72 117.82 20.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.722 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -135.91 144.78 45.7 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 pt -129.51 146.44 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 121.055 0.455 . . . . 0.0 110.483 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -92.82 129.98 38.57 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.848 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.5 mt -116.31 120.95 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.828 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.6 169.73 20.69 Favored Glycine 0 N--CA 1.472 1.045 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 35.3 t-20 61.36 44.29 9.74 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.98 0.419 . . . . 0.0 110.533 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 156.33 17.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.275 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.5 143.51 57.86 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.934 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -64.75 -40.28 95.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -73.82 -11.18 60.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.7 122.05 12.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.348 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -106.05 179.16 4.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.53 -39.35 90.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.15 -44.42 97.38 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.59 -43.08 98.01 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.736 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.94 -44.95 99.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.403 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 32' ' ' SER . 21.9 mt -60.46 -43.85 96.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.592 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.4 m -63.49 -42.64 98.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.857 0.36 . . . . 0.0 111.002 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.68 -49.5 84.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.171 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -86.76 -12.79 47.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.828 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.8 t -43.63 -56.87 3.47 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -68.92 -39.49 79.62 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.096 0.474 . . . . 0.0 111.695 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.443 ' O ' ' OH ' ' A' ' 59' ' ' TYR . 31.5 m-85 -78.94 33.35 0.22 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.6 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 59' ' ' TYR . . . 98.11 71.27 1.02 Allowed Glycine 0 C--N 1.34 0.802 0 C-N-CA 119.574 -1.298 . . . . 0.0 111.904 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.88 126.92 73.81 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.043 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 74.2 Cg_endo -76.8 161.12 33.75 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 123.278 2.652 . . . . 0.0 112.037 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.5 m -94.96 -8.16 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -160.89 143.73 12.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.743 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.14 126.38 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.426 HD12 HG22 ' A' ' 41' ' ' ILE . 80.1 mt -110.03 126.6 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.591 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.1 mt -118.11 124.99 49.39 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.944 0.402 . . . . 0.0 110.606 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.9 m -73.16 139.59 46.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -140.87 141.95 34.58 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.622 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 49' ' ' GLY . 65.2 t0 -81.75 113.95 20.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.22 -28.55 64.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.384 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -62.83 -43.71 98.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.792 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 t -134.87 -46.37 0.73 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.947 0.403 . . . . 0.0 110.735 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 83.97 -129.83 9.39 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 58.16 -80.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.321 . . . . 0.0 110.609 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' GLY . 80.0 p -72.94 161.39 30.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.602 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 13.3 mp0 -123.99 -72.81 0.66 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.799 0.333 . . . . 0.0 110.69 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.441 ' O ' ' CD1' ' A' ' 54' ' ' PHE . . . 88.32 -11.52 67.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 53' ' ' GLY . 5.5 m-85 -150.47 144.23 25.26 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.371 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.82 147.53 24.34 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.606 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 56' ' ' TYR . 2.6 m-85 -141.53 136.95 31.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.193 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.66 146.49 50.54 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 17.8 ttmm -88.12 129.09 35.41 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 110.905 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -96.67 142.17 29.03 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.351 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.61 -41.63 97.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.944 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -123.06 135.62 54.49 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.926 0.393 . . . . 0.0 110.515 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.452 ' OE1' ' N ' ' A' ' 62' ' ' GLN . 10.1 pm0 -69.81 -23.94 63.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -80.78 -29.37 36.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.945 0.402 . . . . 0.0 110.437 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.4 m -67.6 -23.95 65.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.544 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.9 p -60.17 -27.37 67.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.39 -40.14 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.449 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 38.7 mt -56.33 -60.33 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.638 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.81 77.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.027 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 78.0 t -60.0 -65.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.303 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.26 -16.45 62.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.422 ' OD1' ' ND2' ' B' ' 326' ' ' ASN . 98.5 m-20 -90.55 -51.02 5.61 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 3.9 mm? -90.8 8.08 36.56 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.407 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 8.2 t-20 -78.61 109.67 13.03 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.12 1.88 90.2 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.543 ' CZ ' ' O ' ' B' ' 325' ' ' SER . 47.3 t80 -70.19 134.44 48.09 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -89.13 128.74 35.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.013 0.435 . . . . 0.0 111.786 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.433 HD12 HG22 ' A' ' 77' ' ' ILE . 19.5 mt -141.59 110.64 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.08 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 20.26 79.55 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.61 10.33 73.43 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -126.91 130.76 50.76 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.015 0.436 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.541 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -82.6 126.14 31.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.8 142.8 48.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -120.01 102.67 8.71 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.14 136.2 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.122 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -154.24 153.51 31.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -75.43 141.03 43.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.1 p -91.19 178.49 5.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.748 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -145.17 -5.6 0.68 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.74 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 28.0 p90 -80.3 154.09 28.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.456 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -105.89 148.16 36.03 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.024 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -70.18 163.77 37.38 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.81 2.34 . . . . 0.0 111.964 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -47.16 127.8 10.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.464 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -69.53 146.26 51.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.797 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.9 m -143.64 101.59 3.79 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.425 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 tt -94.81 89.77 5.8 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.455 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -143.17 -93.28 0.12 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.876 0.369 . . . . 0.0 110.5 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -65.58 -23.93 66.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.23 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -60.9 -17.06 48.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.654 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.89 -41.61 67.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -64.3 -18.62 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.465 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.79 -12.43 60.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.728 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.9 t -61.34 139.93 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.524 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 78.9 tttt 67.98 155.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.289 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 104' ' ' GLU . 61.0 mp0 -72.69 79.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.759 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -64.74 -41.09 96.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.566 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.4 mp -108.69 -83.58 0.55 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.4 t0 46.31 51.1 11.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 52.71 42.93 31.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.242 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.3 t0 59.15 50.51 7.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.473 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.7 mm 56.76 51.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.53 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.7 t 53.95 81.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.9 t -61.15 -41.36 96.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.371 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -68.17 -12.95 61.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.47 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 58.87 -139.85 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.398 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.34 104.43 17.01 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.84 0.352 . . . . 0.0 110.45 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 49.25 -176.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 117' ' ' GLU . 18.2 pm0 -80.33 152.53 28.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.79 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.528 179.793 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -73.26 124.66 26.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.438 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -69.16 147.27 97.42 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.54 -37.19 17.57 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 122.72 2.28 . . . . 0.0 112.216 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -165.38 154.59 11.06 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.91 153.59 68.09 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.668 2.245 . . . . 0.0 111.841 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -154.97 179.85 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.598 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -72.59 133.65 44.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -52.4 5.03 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.468 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -73.39 105.34 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.877 -179.555 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.32 72.56 7.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.399 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.91 125.11 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.074 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 6.1 ptp -67.16 148.27 98.84 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.34 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.7 162.46 41.17 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 123.011 2.474 . . . . 0.0 112.217 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -118.98 168.16 13.27 Favored Glycine 0 N--CA 1.469 0.834 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 75.5 m -61.85 -36.69 81.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.938 0.399 . . . . 0.0 110.473 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -54.46 -25.33 24.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.699 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.671 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.1 t90 -60.67 -8.5 2.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.131 0.491 . . . . 0.0 111.483 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 11.1 t70 62.48 -22.61 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.671 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 88.74 17.21 57.05 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.502 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 25.1 m -74.29 152.94 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -68.81 124.32 23.36 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.834 0.349 . . . . 0.0 111.213 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -138.47 110.03 7.04 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' SER . . . . . 0.543 ' O ' ' CZ ' ' A' ' 75' ' ' PHE . 57.9 m -116.44 155.86 27.82 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.921 0.391 . . . . 0.0 110.739 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.422 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 11.8 p-10 -139.42 -20.39 0.94 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.826 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -157.59 145.62 12.2 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -68.9 -24.81 64.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.952 0.406 . . . . 0.0 110.284 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -56.83 -20.75 24.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.635 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -49.05 -24.73 1.69 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -56.74 -30.62 63.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -61.61 -47.12 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.89 -39.78 93.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.403 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.93 98.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.652 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -61.84 -40.78 96.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.755 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -64.38 -42.1 96.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.32 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.01 -30.16 66.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -94.92 82.04 3.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 97.5 mt -130.52 113.48 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.267 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -116.97 5.22 12.85 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.822 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -137.7 129.09 27.97 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.908 0.385 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.649 179.843 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.64 69.05 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.74 0.305 . . . . 0.0 110.643 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.0 ptp -147.34 160.31 42.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.38 -172.57 36.91 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -80.72 69.54 7.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.692 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -137.98 121.44 17.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.502 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -132.15 -9.22 3.39 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.858 0.361 . . . . 0.0 110.671 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -76.7 -74.3 0.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 48.66 30.14 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.461 ' O ' ' CD2' ' A' ' 12' ' ' TYR . 89.8 m-20 -104.12 18.62 21.68 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.549 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 139.44 49.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.464 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 10' ' ' ASN . 76.3 m-85 -120.31 152.07 38.33 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 pt -115.24 137.59 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.144 0.497 . . . . 0.0 110.121 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -82.14 116.82 21.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.178 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.7 mt -108.79 97.73 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.21 173.42 30.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 50.25 39.29 19.58 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.752 0.311 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt -86.26 127.51 34.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -67.3 129.19 39.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.385 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -66.46 -23.31 66.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.59 -30.44 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 7.7 mp -76.85 138.02 39.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.548 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.435 ' HG1' ' H ' ' A' ' 24' ' ' GLU . 8.9 t -107.1 -170.46 1.71 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' H ' ' HG1' ' A' ' 23' ' ' THR . 4.1 mm-40 -59.96 -43.62 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.685 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.71 -41.2 99.57 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.27 -44.98 95.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 110.943 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.55 -42.49 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.366 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' SER . 28.4 mt -61.32 -46.15 91.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -63.9 -39.37 94.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.993 0.425 . . . . 0.0 110.672 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.38 -50.15 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.266 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -86.4 -12.9 47.89 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.666 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.4 m -42.08 -56.31 2.89 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.59 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -68.32 -37.76 80.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 111.201 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.41 ' CZ ' ' ND2' ' A' ' 71' ' ' ASN . 54.3 m-85 -83.95 35.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.591 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.51 71.16 0.97 Allowed Glycine 0 N--CA 1.468 0.782 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.596 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 12.8 p -53.2 107.29 0.81 Allowed Pre-proline 0 CA--C 1.535 0.366 0 CA-C-O 121.241 0.544 . . . . 0.0 110.758 -177.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -60.28 155.3 46.94 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 123.056 2.504 . . . . 0.0 112.312 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.455 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 23.8 m -94.81 -25.93 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.042 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 38' ' ' VAL . 90.6 m-20 -145.72 136.84 24.73 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -127.3 129.06 70.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.726 0.298 . . . . 0.0 110.416 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.41 HG23 HD11 ' A' ' 41' ' ' ILE . 95.6 mt -100.78 124.56 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.716 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -103.16 108.38 19.55 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.153 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.534 ' OG ' ' CE2' ' A' ' 54' ' ' PHE . 83.5 p -69.6 155.3 40.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.566 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -130.44 129.8 43.45 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.734 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLY . 65.2 t0 -81.87 123.38 28.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.87 -19.04 64.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.987 0.422 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -69.65 -40.83 76.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.6 p -110.25 -32.6 6.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.031 0.443 . . . . 0.0 110.859 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 75.88 19.63 78.66 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.495 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 23.9 pt-20 -155.54 -35.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.721 0.296 . . . . 0.0 110.771 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 82.0 p -70.23 158.24 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.791 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 18.5 mp0 -138.13 -79.1 0.36 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.874 0.368 . . . . 0.0 110.453 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.13 -9.81 75.42 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 46.9 p90 -158.01 158.86 35.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.669 0.271 . . . . 0.0 110.559 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.66 167.24 30.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.568 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -130.67 128.47 40.98 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.797 0.332 . . . . 0.0 110.745 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -132.27 146.62 52.12 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.491 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -129.35 143.03 50.68 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.746 0.308 . . . . 0.0 111.106 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 42.2 t80 -117.88 167.84 11.04 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.666 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.566 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 45.5 tp10 -59.92 -42.99 95.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.529 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -104.89 113.19 26.63 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.95 0.405 . . . . 0.0 110.63 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' O ' ' OG1' ' A' ' 65' ' ' THR . 23.8 tm0? -63.66 -33.25 75.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -58.62 -29.44 66.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.713 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.1 m -60.6 -25.53 66.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.794 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 75.5 p -62.37 -25.34 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.51 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.69 -39.03 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.37 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.69 -49.22 73.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.721 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.53 94.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.12 -32.04 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.782 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -91.51 -13.97 31.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.221 -0.299 . . . . 0.0 111.567 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' B' ' 326' ' ' ASN . 40.7 t30 -118.36 -55.02 2.26 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 7.1 mp -90.06 21.47 3.69 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -85.51 108.06 17.75 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.261 -0.274 . . . . 0.0 110.561 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.64 2.81 70.65 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -63.66 126.56 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.688 0.28 . . . . 0.0 110.634 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -69.42 115.22 8.44 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.793 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 80' ' ' ARG . 16.2 tt -142.46 132.47 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.12 19.88 78.75 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.38 74.61 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' ILE . 97.2 mtt180 -136.84 153.71 50.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.832 0.348 . . . . 0.0 110.664 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.06 129.52 38.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.424 ' CD1' ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -87.06 148.9 25.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.088 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -103.4 119.53 39.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.353 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.444 HG22 HD11 ' A' ' 84' ' ' ILE . 21.6 mm -104.36 116.92 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.85 0.357 . . . . 0.0 110.287 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -143.93 161.39 38.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.432 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -88.86 131.77 34.96 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.37 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 12' ' ' TYR . 6.7 t -138.92 143.87 38.84 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -127.45 42.21 3.37 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -62.05 134.72 56.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -57.15 136.62 80.72 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.198 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.44 159.72 39.45 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 123.112 2.541 . . . . 0.0 112.085 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.75 -21.23 66.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.409 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 -64.39 129.38 39.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.402 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.1 m -161.55 69.17 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.7 tt -148.92 111.53 4.77 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.356 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -156.95 -47.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.538 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -171.84 37.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.526 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 41.0 p90 -51.35 131.25 28.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.438 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -136.12 -32.26 0.87 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.089 0.471 . . . . 0.0 110.446 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -71.49 -17.27 62.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.584 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.57 -17.7 61.15 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.2 m -112.29 -18.97 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-O 120.886 0.374 . . . . 0.0 110.949 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -47.45 -91.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -134.62 25.73 3.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -61.71 -42.24 98.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.662 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 tt -71.59 -41.48 68.91 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.106 0.479 . . . . 0.0 110.459 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -59.87 -42.2 93.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 55.98 -96.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -154.92 21.55 0.44 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.447 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 111' ' ' VAL . 20.1 tt -76.54 -6.04 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.658 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 110' ' ' ILE . 9.8 p -35.58 124.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.766 0.317 . . . . 0.0 110.944 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.448 ' HG ' ' N ' ' A' ' 113' ' ' LYS . 89.8 p -64.9 -35.76 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.751 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.448 ' N ' ' HG ' ' A' ' 112' ' ' SER . 99.0 mttt -68.66 140.91 55.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.298 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -135.52 5.94 3.22 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.777 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.2 m120 51.39 42.69 29.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.08 87.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.445 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 118' ' ' LYS . 99.1 mt-10 -61.44 -29.13 69.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.511 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 117' ' ' GLU . 25.0 pttm . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.801 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 304' ' ' LYS . 66.5 t0 -62.54 140.68 58.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.391 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' B' ' 303' ' ' ASP . 63.6 mttp -63.74 147.98 95.11 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.26 -21.08 48.45 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.866 2.377 . . . . 0.0 112.185 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -123.27 167.29 15.14 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.936 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -49.45 145.51 16.12 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.852 2.368 . . . . 0.0 112.067 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 20.2 pm0 -59.34 -15.49 16.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . 0.529 ' OD1' ' ND2' ' B' ' 337' ' ' ASN . 69.0 m-80 -73.47 138.73 45.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.541 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -62.47 -40.82 97.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.4 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -135.55 -176.34 4.25 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -125.77 49.12 1.98 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.82 0.343 . . . . 0.0 111.109 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 33.2 mm -80.27 127.62 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.04 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -89.14 118.54 69.28 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.107 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.74 147.26 32.18 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 123.256 2.637 . . . . 0.0 111.999 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -118.32 162.94 13.08 Favored Glycine 0 N--CA 1.469 0.874 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 67.9 m -60.74 -36.93 80.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.148 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -53.95 -22.01 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.36 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.585 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.6 t90 -61.87 -23.15 66.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.305 0.574 . . . . 0.0 111.473 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 20.2 t0 65.22 -11.29 0.16 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.731 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 81.13 18.95 68.16 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.29 150.57 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 O-C-N 122.711 -0.288 . . . . 0.0 110.442 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -81.8 133.23 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.824 0.345 . . . . 0.0 110.662 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . 0.802 ' HE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -139.81 142.53 36.66 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.848 0.356 . . . . 0.0 110.167 -179.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 88.3 p -158.37 162.73 37.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.499 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 71' ' ' ASN . 36.2 t30 -123.29 -91.47 0.55 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.686 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -74.54 162.79 54.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.426 ' CE2' ' NZ ' ' B' ' 331' ' ' LYS . 72.4 t80 -61.4 -46.37 90.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.804 0.335 . . . . 0.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.31 -19.73 62.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.032 0.444 . . . . 0.0 110.777 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -47.99 -35.67 11.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.426 ' NZ ' ' CE2' ' B' ' 328' ' ' PHE . 63.8 pttt -57.53 -37.46 73.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.986 0.422 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -65.71 -45.46 82.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.349 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -45.93 88.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.138 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.27 93.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.456 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -57.77 -44.21 86.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.17 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.78 -37.75 88.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.574 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . 0.529 ' ND2' ' OD1' ' B' ' 309' ' ' ASN . 86.8 m-20 -89.03 -3.37 58.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -124.25 34.06 5.13 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.13 -41.35 89.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.163 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -56.63 134.15 54.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.383 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -61.54 -40.31 94.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.421 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.06 -72.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.399 . . . . 0.0 110.702 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 1' ' ' GLY . 71.9 mtm 52.86 -130.55 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.674 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.25 -0.9 84.62 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.1 m120 52.48 42.07 31.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.404 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.0 mp0 54.45 51.81 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.598 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 58.31 27.85 15.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.473 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt 51.03 35.39 12.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.63 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -96.7 7.16 47.21 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.428 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -105.06 18.35 22.51 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.686 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.02 145.94 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.451 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 89' ' ' TYR . 38.5 m-85 -131.11 149.45 52.59 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.458 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -110.94 119.32 59.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -85.36 117.7 24.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.9 mt -114.29 128.81 71.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -142.03 172.79 23.98 Favored Glycine 0 N--CA 1.465 0.62 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 64.99 37.85 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.784 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.02 149.24 24.45 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.059 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -70.24 139.29 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.341 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.91 -17.95 63.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.229 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -64.93 -24.43 67.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.22 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.0 mt -85.76 139.1 31.6 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.325 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.1 p -106.01 -173.38 2.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.02 -41.27 96.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.455 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.5 -41.07 99.36 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.73 -42.82 99.85 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.822 0.344 . . . . 0.0 110.799 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -62.63 -44.23 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.076 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.9 mt -56.95 -48.0 79.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.246 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 79.7 m -60.91 -43.25 98.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 111.364 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.19 -47.23 94.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -85.54 -13.58 48.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.433 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' LEU . 27.7 t -47.55 -56.26 7.49 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -177.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -68.53 -25.42 64.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.912 0.387 . . . . 0.0 111.314 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -96.85 35.1 1.59 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.746 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' CE1' ' A' ' 59' ' ' TYR . . . 100.09 68.21 0.86 Allowed Glycine 0 C--N 1.342 0.869 0 C-N-CA 119.512 -1.328 . . . . 0.0 111.965 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 7.2 p -58.05 119.34 33.72 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.99 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.4 159.09 43.85 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 123.058 2.506 . . . . 0.0 112.374 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.3 m -91.8 -16.75 7.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.2 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 58.3 t0 -172.78 139.83 0.92 Allowed 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.773 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 10.5 m -129.25 149.59 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -112.73 125.68 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mp -110.26 101.55 10.29 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.24 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.7 t -70.97 136.04 48.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.451 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -134.42 142.18 47.06 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.733 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -84.11 121.93 28.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 58.2 mp0 -71.91 -13.29 61.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.769 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -61.86 -39.82 93.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.717 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.54 -30.62 5.12 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.821 0.343 . . . . 0.0 110.591 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.34 0.54 89.9 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -138.15 63.13 1.54 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.808 0.337 . . . . 0.0 110.57 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.7 t -135.32 126.51 28.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.386 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 25.5 mt-30 -146.55 -126.08 0.07 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.374 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.05 84.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.454 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 9.0 p90 -155.01 151.23 28.2 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.262 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.64 163.98 37.69 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -110.55 134.12 52.68 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.886 0.374 . . . . 0.0 110.494 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.36 145.29 37.77 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -131.07 108.23 9.62 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.363 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.45 ' CD2' ' OG ' ' A' ' 64' ' ' SER . 45.1 t80 -106.95 155.58 19.63 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -60.57 -42.05 95.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.733 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -107.72 156.33 19.21 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.322 0.582 . . . . 0.0 111.337 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' OG1' ' A' ' 65' ' ' THR . 53.4 tt0 -85.98 -21.78 27.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.325 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -66.74 -27.85 67.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.45 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 88.5 p -61.73 -22.53 65.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.424 ' HG1' ' N ' ' A' ' 66' ' ' ILE . 80.6 p -64.51 -36.89 85.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 ' N ' ' HG1' ' A' ' 65' ' ' THR . 96.6 mt -62.69 -41.86 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.068 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 39.6 mt -61.87 -62.63 1.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.485 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.32 -36.51 14.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.634 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 68.8 t -69.51 -68.43 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.034 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -59.11 -14.8 11.2 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 26.1 m120 -91.16 -48.04 7.18 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.8 mt -101.51 0.95 37.52 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 35.1 t30 -80.25 115.58 19.88 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.55 -9.27 77.54 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -78.42 117.04 19.26 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -77.93 109.85 12.34 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.222 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 10.6 tt -121.15 129.39 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.039 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.18 15.8 72.55 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.24 -1.5 84.54 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -128.92 148.45 50.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.937 0.398 . . . . 0.0 110.781 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.32 151.33 23.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.34 153.86 18.31 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -122.58 100.69 7.06 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.9 mm -100.89 132.02 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.694 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -150.53 144.06 25.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.017 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -78.26 140.85 38.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.4 t -147.26 143.77 28.37 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -97.21 15.71 21.95 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.023 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 51.7 t80 -49.63 129.95 20.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.989 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -96.25 150.08 36.72 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.96 146.36 82.4 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.584 2.189 . . . . 0.0 111.908 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -85.75 132.91 34.04 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.509 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -118.86 158.8 24.96 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 96' ' ' GLN . 66.0 m -48.81 105.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.455 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.8 mp 40.75 -91.02 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 94' ' ' SER . 55.3 tt0 55.54 -101.1 0.12 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.643 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -73.87 63.28 0.89 Allowed 'General case' 0 CA--C 1.522 -0.105 0 CA-C-O 120.974 0.416 . . . . 0.0 110.629 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -163.23 -20.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -58.95 -48.32 81.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.403 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.72 -36.25 83.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.195 0.522 . . . . 0.0 110.35 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.53 -33.79 70.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.343 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.3 t -37.96 -84.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.18 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -146.86 33.67 0.92 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.167 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -100.52 -63.01 1.17 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.88 -40.55 96.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.36 -36.89 84.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -85.8 19.64 2.44 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.023 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.8 ptt85 -57.2 -18.97 18.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.733 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.79 -25.96 68.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.447 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.7 tt -53.29 -26.45 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.603 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.45 -45.45 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.219 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 71.1 m -133.93 137.12 44.69 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.842 0.354 . . . . 0.0 110.481 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.504 ' O ' ' ND2' ' A' ' 114' ' ' ASN . 33.6 mmtp -94.09 -3.19 51.61 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.19 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 113' ' ' LYS . 22.8 m120 -152.23 -160.46 1.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.588 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 56.6 t30 64.16 -71.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.698 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' ASN . . . -61.51 -40.59 95.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.556 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -101.03 129.25 46.85 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.39 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.449 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -84.72 167.77 15.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.469 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -100.71 148.7 35.37 Favored Pre-proline 0 CA--C 1.539 0.519 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.8 163.41 38.98 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.739 2.292 . . . . 0.0 111.92 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . 0.415 ' O ' ' OE1' ' B' ' 308' ' ' GLU . . . 53.85 58.84 12.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -70.11 152.24 67.42 Favored 'Trans proline' 0 C--N 1.301 -1.961 0 C-N-CA 122.802 2.335 . . . . 0.0 111.882 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . 0.499 ' N ' ' OE1' ' B' ' 308' ' ' GLU . 13.8 pm0 -149.18 175.84 11.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.649 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -128.1 124.94 38.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.923 0.392 . . . . 0.0 110.623 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -94.75 -6.43 43.07 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.421 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 13.1 m-85 -75.91 -168.81 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.104 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -160.74 46.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.491 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 28.6 mm -63.45 128.69 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.291 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 314' ' ' MET . . . . . 0.541 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.2 mpt? -77.86 150.34 78.31 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.49 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.68 160.06 49.83 Favored 'Trans proline' 0 N--CA 1.502 1.972 0 C-N-CA 122.759 2.306 . . . . 0.0 111.956 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -121.01 167.55 14.02 Favored Glycine 0 N--CA 1.47 0.92 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 89.6 p -63.38 -30.2 71.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -68.42 -15.69 63.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.49 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.525 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.9 t90 -61.22 -25.54 67.13 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.386 0.612 . . . . 0.0 111.267 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.48 2.83 0.1 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 71.88 19.24 78.1 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 69.9 t -69.73 145.09 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.514 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -69.27 137.1 52.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.46 146.02 41.58 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.041 0.448 . . . . 0.0 109.86 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 53.5 m -135.19 141.36 45.84 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.314 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -102.39 -20.8 14.43 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . 163.43 -179.82 38.31 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -22.45 65.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.462 ' OE1' ' NE1' ' B' ' 332' ' ' TRP . 78.6 mm-40 -55.03 -21.07 10.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.775 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -57.91 -19.85 32.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.695 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.584 ' CG ' ' H ' ' B' ' 332' ' ' TRP . 0.1 OUTLIER -59.65 -61.3 2.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.31 -179.619 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . 0.584 ' H ' ' CG ' ' B' ' 331' ' ' LYS . 62.9 p-90 -72.81 -24.41 60.91 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.027 0.442 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -67.89 -46.78 70.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.766 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.82 87.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.636 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -60.56 -42.41 96.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.498 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -63.04 -42.05 99.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.295 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -72.62 -27.94 62.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.338 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.91 -40.39 97.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.574 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.61 102.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.246 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -134.83 138.97 44.7 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.576 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.87 143.75 34.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.495 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.623 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.28 96.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.607 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 68.2 mtm 46.99 50.16 14.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.507 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.53 63.99 0.61 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.42 -7.46 59.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.681 0.276 . . . . 0.0 110.368 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -73.85 -146.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.481 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' A' ' 8' ' ' LYS . 45.3 m-85 56.87 24.01 8.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 7' ' ' TYR . 63.2 mttp 56.33 154.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -81.67 151.25 27.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.651 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -78.34 70.65 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.12 154.18 26.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.689 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -138.62 153.42 48.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.701 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mt -100.57 118.89 47.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -73.73 109.65 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.063 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.3 mt -110.76 111.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.64 177.12 19.92 Favored Glycine 0 N--CA 1.469 0.845 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 44.4 t30 55.58 38.96 30.88 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.785 0.326 . . . . 0.0 110.266 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.93 155.39 18.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -69.75 125.39 26.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.324 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -57.06 -18.21 13.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.48 -30.67 70.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.259 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.86 133.44 46.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.0 p -105.52 -178.11 3.56 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.465 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -59.9 -47.14 86.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.205 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -37.41 94.63 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.11 -40.2 95.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.722 0.296 . . . . 0.0 110.505 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.89 -43.62 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.076 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 32' ' ' SER . 20.7 mt -57.4 -49.68 75.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.476 ' O ' ' OG ' ' A' ' 32' ' ' SER . 60.7 m -61.11 -41.01 95.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 111.205 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.72 -47.97 90.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.393 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -89.39 -15.43 33.28 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.551 ' HG ' ' H ' ' A' ' 33' ' ' GLU . 9.5 p -47.37 -57.85 4.82 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.551 ' H ' ' HG ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -67.16 -12.29 59.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.232 0.539 . . . . 0.0 111.424 -179.344 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.507 ' CE1' ' OD1' ' A' ' 71' ' ' ASN . 54.5 m-85 -110.66 34.64 3.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.997 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.01 69.52 0.96 Allowed Glycine 0 C--N 1.339 0.73 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.155 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 9.2 p -55.47 123.01 48.04 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.914 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.1 160.83 36.2 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 123.239 2.626 . . . . 0.0 111.946 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.39 -0.32 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -167.12 143.27 4.32 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.53 124.78 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.402 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.9 mt -109.85 120.4 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.9 mt -104.8 132.07 51.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.632 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -70.82 123.53 22.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.363 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -159.76 154.9 25.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.673 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 49' ' ' GLY . 67.5 t0 -88.59 112.43 23.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.447 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -59.65 -27.44 66.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.63 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.4 -40.79 98.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 t -135.33 -45.92 0.7 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.035 0.445 . . . . 0.0 111.042 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 97.5 50.25 1.72 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -62.08 -169.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.854 0.359 . . . . 0.0 110.669 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -61.15 148.82 39.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' HG3' ' H ' ' A' ' 53' ' ' GLY . 3.0 pt20 -84.06 -93.13 0.07 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.57 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' PHE . . . 93.36 -9.85 73.89 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 53' ' ' GLY . 21.3 m-85 -142.75 148.9 37.97 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 122.757 -0.26 . . . . 0.0 110.512 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.03 147.15 26.77 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.983 0.421 . . . . 0.0 110.615 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -138.89 120.83 15.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.108 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.49 141.86 47.85 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.679 0.276 . . . . 0.0 110.53 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.8 tttp -92.32 126.19 37.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.41 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 28.4 p90 -104.39 159.82 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.694 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -76.84 -43.68 35.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.024 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 67.4 m-20 -125.67 150.62 47.47 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.985 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' O ' ' OG1' ' A' ' 65' ' ' THR . 3.9 mp0 -64.94 -18.24 65.06 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.966 0.412 . . . . 0.0 110.404 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -59.07 -32.54 69.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.079 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 t -61.02 -39.99 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.65 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.511 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 56.5 p -64.86 -46.79 80.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.33 -42.91 92.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 25.1 mt -64.93 -60.68 2.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.475 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.49 -38.97 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.475 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 52.2 t -59.26 -68.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.792 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -64.26 -20.37 66.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.949 0.404 . . . . 0.0 111.965 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.507 ' OD1' ' CE1' ' A' ' 34' ' ' TYR . 6.3 m120 -82.19 -33.06 29.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.022 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.4 mt -114.42 -0.88 13.63 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.962 0.411 . . . . 0.0 111.58 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 21.9 t-20 -76.32 110.25 10.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.236 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.45 -0.73 55.72 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.536 ' CE2' ' CG1' ' A' ' 77' ' ' ILE . 10.0 t80 -95.26 121.91 37.4 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.16 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -83.26 138.32 33.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.351 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.536 ' CG1' ' CE2' ' A' ' 75' ' ' PHE . 78.7 mt -137.24 123.54 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.526 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.65 19.27 77.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.57 -10.75 72.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -116.82 143.21 45.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.837 0.351 . . . . 0.0 110.562 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.528 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -94.4 121.53 36.02 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.758 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.0 154.24 33.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.942 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -114.03 120.28 40.07 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.904 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 mm -107.04 116.13 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -149.61 144.81 26.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -71.04 144.38 50.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.485 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.513 ' HG1' ' H ' ' A' ' 89' ' ' TYR . 1.8 t -140.03 139.45 35.98 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.912 0.387 . . . . 0.0 110.58 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -88.83 1.49 55.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.195 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.513 ' H ' ' HG1' ' A' ' 87' ' ' THR . 43.8 t80 -50.23 127.05 16.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.294 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -107.66 150.46 40.21 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' LYS . 65.1 Cg_exo -50.65 133.72 38.99 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 123.187 2.591 . . . . 0.0 111.689 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 91' ' ' PRO . 48.4 mmtt 52.61 102.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -47.15 121.78 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.319 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m -157.24 123.17 4.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.679 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.67 132.57 45.99 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.981 0.42 . . . . 0.0 110.169 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -99.02 141.97 31.09 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.619 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 54.52 53.84 10.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.622 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -146.04 13.81 1.3 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.392 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -57.61 -32.87 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.561 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.0 -31.99 67.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.447 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.6 78.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.17 135.13 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt 65.21 43.68 3.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -166.76 -57.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.405 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.77 -43.75 97.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.348 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -78.32 -29.23 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.669 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -99.21 17.59 19.61 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.803 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -62.29 -22.91 66.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.416 ' OD1' ' OG ' ' A' ' 112' ' ' SER . 23.6 t70 -97.59 12.6 32.97 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.89 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.9 tp -67.72 -36.66 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.99 -46.37 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.416 ' OG ' ' OD1' ' A' ' 109' ' ' ASP . 85.6 p -72.27 -26.19 61.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 53.77 30.76 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 51.83 40.71 28.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.567 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -145.96 0.33 0.83 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.673 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 60.47 147.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 118' ' ' LYS . 24.6 pt-20 -68.82 -22.32 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.646 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 117' ' ' GLU . 39.1 tptt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.62 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 91.0 t80 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.42 150.66 43.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.439 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' B' ' 305' ' ' PRO . 24.1 pttm -60.79 145.23 88.7 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' B' ' 304' ' ' LYS . 51.7 Cg_exo -47.94 -177.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 123.216 2.611 . . . . 0.0 111.861 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -70.01 151.06 96.22 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.79 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.62 150.05 68.54 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.983 2.455 . . . . 0.0 112.153 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.95 143.95 28.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.444 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' B' ' 311' ' ' PHE . 0.9 OUTLIER -167.95 159.74 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.507 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -89.27 -14.27 36.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.657 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.479 ' O ' ' ND2' ' B' ' 309' ' ' ASN . 26.2 m-85 -131.05 158.28 40.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.493 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -88.56 35.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.17 113.08 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.301 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 21.8 ptp -92.05 154.36 43.35 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.379 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -54.65 139.01 76.57 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 123.134 2.556 . . . . 0.0 112.189 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -88.81 173.57 41.77 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 87.6 p -71.76 -22.83 61.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.672 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -70.28 -10.49 59.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.658 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.8 t90 -61.34 -17.01 51.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.712 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 15.3 t0 60.45 -12.29 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.658 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 83.84 12.53 77.11 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.416 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 24.6 t -62.19 150.46 8.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.839 0.352 . . . . 0.0 110.326 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -65.55 145.63 55.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.597 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -137.58 156.23 48.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.724 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 35.8 t -124.36 124.08 41.59 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.92 0.39 . . . . 0.0 110.773 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -167.86 136.7 2.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.591 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -168.46 16.77 0.07 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -63.86 -46.99 82.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.593 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -65.26 -21.09 66.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.709 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -50.28 -34.54 23.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.525 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 21.0 pttp -58.18 -41.57 84.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.5 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . 0.47 ' O ' ' OE1' ' B' ' 336' ' ' GLN . 86.8 t90 -62.62 -48.35 79.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.29 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -63.48 -38.73 92.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.302 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.6 89.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.299 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -62.75 -42.36 99.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.23 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . 0.47 ' OE1' ' O ' ' B' ' 332' ' ' TRP . 3.3 mp0 -61.79 -36.54 81.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.602 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' B' ' 340' ' ' ASN . 61.4 t30 -80.23 -43.2 21.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.05 0.452 . . . . 0.0 111.227 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' B' ' 340' ' ' ASN . 86.9 tt0 -64.39 -37.59 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 15.5 tt -39.38 -26.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.768 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' B' ' 338' ' ' GLU . 24.6 p30 -153.84 176.71 11.84 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -175.52 -22.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.64 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 82.8 tttt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.369 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.3 136.58 58.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.841 0.353 . . . . 0.0 110.674 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.6 mtt -86.07 142.78 28.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.643 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.97 76.53 0.06 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 57.37 35.32 25.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 110.402 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.81 -38.74 89.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.675 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -125.13 154.41 41.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -115.71 153.54 31.18 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.704 0.288 . . . . 0.0 110.79 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -121.57 106.6 11.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.291 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.44 ' O ' ' OD1' ' A' ' 10' ' ' ASN . 10.4 p30 -72.9 77.8 1.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.48 148.14 24.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.609 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.528 ' HH ' ' HZ1' ' A' ' 58' ' ' LYS . 79.6 m-85 -127.6 140.17 52.28 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.946 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -121.58 143.91 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -91.63 119.4 31.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.9 mt -109.3 106.0 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.92 175.41 25.18 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 59.53 46.36 12.23 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -85.51 137.71 32.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.116 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.454 ' OD1' ' OE2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -86.79 160.03 18.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.964 0.411 . . . . 0.0 110.693 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' CZ ' ' NE2' ' A' ' 52' ' ' GLN . 85.7 mmt-85 -70.33 -40.27 74.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.759 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' OE2' ' OD1' ' A' ' 19' ' ' ASN . 17.5 pm0 -68.23 -21.74 64.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.03 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.38 114.4 3.18 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.328 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -101.67 170.92 7.86 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.827 0.346 . . . . 0.0 110.504 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.4 mp0 -62.91 -40.65 98.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.383 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.51 -41.96 99.66 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.88 -43.81 98.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.636 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.97 -43.83 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.355 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 32' ' ' SER . 8.8 mt -57.16 -44.5 83.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.287 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.413 ' O ' ' OG ' ' A' ' 32' ' ' SER . 84.7 m -60.15 -40.14 88.82 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.16 0.505 . . . . 0.0 110.742 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 53.4 t -60.88 -48.29 89.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.433 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -87.72 -14.64 39.25 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.905 0.383 . . . . 0.0 111.769 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' LEU . 70.8 p -44.39 -60.23 2.04 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.516 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 87.4 tt0 -67.47 -35.99 80.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.567 . . . . 0.0 111.776 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.483 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 3.1 m-85 -86.32 34.28 0.63 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.177 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.96 74.53 1.15 Allowed Glycine 0 CA--C 1.527 0.837 0 C-N-CA 120.012 -1.089 . . . . 0.0 112.041 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 9.3 p -53.94 112.96 4.31 Favored Pre-proline 0 CA--C 1.547 0.85 0 CA-C-O 121.111 0.482 . . . . 0.0 110.843 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.99 159.0 27.17 Favored 'Trans proline' 0 N--CA 1.504 2.137 0 C-N-CA 123.764 2.976 . . . . 0.0 111.699 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.7 m -92.5 -25.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.747 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -156.39 143.9 19.23 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.644 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -129.21 131.96 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.253 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.8 114.81 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tp -112.9 101.44 9.5 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.697 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.8 t -67.49 141.06 57.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.384 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -139.88 135.31 32.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 22.0 p-10 -50.16 111.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.58 -46.54 8.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.469 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -103.88 -60.52 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' A' ' 49' ' ' GLY . 9.9 t -133.15 -45.86 0.84 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' CG2' ' A' ' 48' ' ' THR . . . 91.5 149.01 23.04 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -136.2 109.97 8.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.804 0.335 . . . . 0.0 110.664 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.9 t 54.77 69.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' HG2' ' H ' ' A' ' 53' ' ' GLY . 5.2 tt0 -71.65 168.58 17.4 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.413 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' H ' ' HG2' ' A' ' 52' ' ' GLN . . . 107.46 40.81 1.71 Allowed Glycine 0 N--CA 1.467 0.726 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -149.45 158.14 43.91 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.824 0.345 . . . . 0.0 110.741 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.29 153.52 25.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -109.72 127.43 54.6 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.986 0.422 . . . . 0.0 109.991 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -110.25 130.66 55.51 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.849 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' HZ1' ' HH ' ' A' ' 12' ' ' TYR . 66.2 tttp -93.83 110.97 22.6 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 120.879 0.371 . . . . 0.0 110.038 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' OG ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -100.29 133.06 45.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -70.38 -41.22 73.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.547 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' OG ' ' A' ' 64' ' ' SER . 89.9 m-20 -120.29 138.41 53.7 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.846 0.355 . . . . 0.0 110.806 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' O ' ' OG1' ' A' ' 65' ' ' THR . 61.3 tt0 -68.46 -33.92 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.5 mtm-85 -61.5 -35.1 76.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.006 0.431 . . . . 0.0 111.178 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.544 ' OG ' ' CD1' ' A' ' 59' ' ' TYR . 93.2 p -59.4 -32.93 70.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.181 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 69.6 p -59.07 -30.55 68.15 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.588 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.43 -41.81 91.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.148 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.8 -52.12 64.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.65 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.51 98.99 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 121.02 0.438 . . . . 0.0 111.857 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 70.0 t -57.56 -65.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.513 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.99 -18.8 61.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.89 0.376 . . . . 0.0 111.996 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -87.62 -42.82 12.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 4.4 mm? -95.57 -18.27 20.73 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.042 0.449 . . . . 0.0 111.82 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 23.7 t-20 -58.62 118.36 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.722 0.296 . . . . 0.0 110.356 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.19 0.27 89.52 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -78.24 132.93 37.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -90.56 109.47 20.62 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 80' ' ' ARG . 4.9 tt -123.86 143.78 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.601 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.97 -130.21 43.3 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.33 -72.15 1.02 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ILE . 2.7 mpp_? -102.23 167.07 10.23 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.892 0.377 . . . . 0.0 110.076 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.15 110.21 12.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.7 pt? -50.22 144.66 6.91 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.464 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -108.39 127.92 54.31 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.062 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mm -104.06 125.15 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.793 0.33 . . . . 0.0 110.198 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 42.0 t0 -151.29 147.39 26.9 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.611 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 37.3 m170 -78.96 147.15 33.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.563 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.445 ' HG1' ' H ' ' A' ' 89' ' ' TYR . 13.2 t -154.68 135.28 13.48 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.624 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -87.8 14.45 8.65 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.38 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.445 ' H ' ' HG1' ' A' ' 87' ' ' THR . 50.4 t80 -49.98 126.08 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.402 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 ptt85 -75.24 148.47 83.85 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.128 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.24 154.9 69.09 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 123.232 2.621 . . . . 0.0 111.981 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -61.12 162.77 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -38.19 82.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.41 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.2 t 59.25 -120.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.678 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tp -104.9 28.4 7.2 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.738 0.304 . . . . 0.0 110.662 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -91.69 -83.0 0.29 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.648 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -64.68 -24.05 67.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.96 0.41 . . . . 0.0 110.48 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.15 -36.07 74.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -52.88 -47.16 68.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.379 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -70.71 -33.45 70.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.459 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.81 88.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.55 -31.75 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.438 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -60.74 -43.38 97.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.084 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -154.02 120.95 5.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.5 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' A' ' 105' ' ' GLU . 12.2 pm0 -119.02 -117.98 0.32 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.9 0.381 . . . . 0.0 110.132 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.435 ' H ' ' CG ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -63.3 -3.86 2.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.207 179.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 105' ' ' GLU . 99.0 m-20 -69.42 -18.08 63.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.54 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -81.2 128.09 33.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 55.16 51.88 12.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.4 pt -53.07 -15.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.5 t -74.04 123.23 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.664 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.3 m -97.79 -170.22 1.96 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.575 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm 59.73 22.05 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.517 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 58.0 26.84 13.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.53 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.6 t30 51.66 40.1 26.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 51.69 33.44 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 52.21 39.54 27.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.64 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.479 179.869 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -79.0 163.2 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.678 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -101.82 148.99 36.09 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' B' ' 306' ' ' ALA . 38.2 Cg_endo -66.55 163.61 32.01 Favored 'Trans proline' 0 N--CA 1.503 2.07 0 C-N-CA 123.257 2.638 . . . . 0.0 111.788 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' B' ' 305' ' ' PRO . . . 77.05 90.14 0.06 OUTLIER Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.471 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.83 159.95 3.27 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 123.235 2.624 . . . . 0.0 112.07 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -44.13 134.23 4.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.749 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -134.17 160.99 36.15 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.841 0.353 . . . . 0.0 110.607 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . 0.759 ' H ' ' HE ' ' B' ' 310' ' ' ARG . 0.3 OUTLIER -62.2 -40.1 94.94 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.591 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -111.58 -176.7 3.0 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.741 0.305 . . . . 0.0 110.415 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -125.07 35.77 4.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.739 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 83.6 mt -93.08 121.76 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.846 0.355 . . . . 0.0 110.139 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 11.2 ptp -77.24 150.54 80.45 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.621 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.02 165.01 33.96 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 123.331 2.687 . . . . 0.0 111.98 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -120.91 165.19 14.06 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 317' ' ' SER . . . . . 0.483 ' C ' ' H ' ' B' ' 319' ' ' TRP . 38.9 t -61.3 -42.99 99.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 110.586 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -54.76 -9.33 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.374 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.622 ' C ' ' H ' ' B' ' 321' ' ' GLY . 18.8 t90 -62.67 -15.03 50.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.452 0.644 . . . . 0.0 111.359 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 22.3 t0 56.93 -5.03 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 81.24 7.83 87.96 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.544 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 68.8 t -88.82 121.29 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.819 0.342 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' B' ' 323' ' ' HIS . 36.5 p-80 -101.19 123.31 45.13 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -133.1 106.38 7.59 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 83.0 p -158.83 160.41 36.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.541 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.509 ' C ' HD21 ' B' ' 326' ' ' ASN . 0.1 OUTLIER -146.65 -137.92 0.09 Allowed 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.944 0.402 . . . . 0.0 110.482 -179.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . 98.72 152.12 27.46 Favored Glycine 0 N--CA 1.465 0.573 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' B' ' 329' ' ' GLU . 20.8 p90 -77.32 -46.78 21.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.663 0.268 . . . . 0.0 110.619 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.554 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 15.2 tm-20 -62.35 -30.69 71.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.962 0.411 . . . . 0.0 110.81 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.87 -30.51 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.72 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -50.16 -29.21 8.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.447 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -61.11 -49.01 79.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.306 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.91 -43.23 93.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.0 110.268 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.69 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -39.6 86.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.554 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -62.26 -41.57 98.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.162 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -66.11 -37.61 86.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.312 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.21 -39.17 85.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.19 121.71 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.508 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 341' ' ' GLU . 18.8 p30 -147.82 -29.04 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.674 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' B' ' 340' ' ' ASN . 15.6 tm-20 -172.17 97.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.389 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 60.6 mttm . . . . . 0 C--O 1.218 -0.565 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.712 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.99 143.37 27.23 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.82 0.343 . . . . 0.0 110.577 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 78.2 mtm -101.31 8.89 42.19 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.08 174.27 40.78 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 p30 -130.76 34.34 4.12 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.83 -0.218 . . . . 0.0 110.711 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 56.73 30.94 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.632 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 48.26 28.54 1.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.749 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -79.85 74.36 6.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.268 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -146.67 136.13 22.9 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.842 0.353 . . . . 0.0 110.796 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' OD1' ' A' ' 10' ' ' ASN . 11.2 p30 -76.74 78.61 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.639 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.539 ' O ' ' CD2' ' A' ' 12' ' ' TYR . . . -83.65 115.37 22.13 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.398 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 11' ' ' ALA . 60.9 m-85 -158.14 146.48 18.8 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.11 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.434 ' C ' ' OG1' ' A' ' 87' ' ' THR . 2.3 mt -108.48 129.08 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 120.863 0.363 . . . . 0.0 110.044 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.523 ' N ' ' OG1' ' A' ' 87' ' ' THR . 40.9 t80 -74.87 118.96 18.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.118 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mt -118.45 112.19 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.85 174.61 19.78 Favored Glycine 0 N--CA 1.471 1.011 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 55.65 38.86 30.7 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.825 0.345 . . . . 0.0 110.71 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -104.12 157.85 16.84 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 110.244 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 78' ' ' GLY . 8.4 m-20 -83.34 137.65 33.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.466 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -65.34 -20.23 66.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.511 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.37 -30.55 70.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.363 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 10.9 mp -69.01 130.84 43.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.472 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -99.65 179.8 4.43 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.36 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.99 -39.92 91.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.86 99.72 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.19 -44.12 97.79 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 27' ' ' ILE . 85.3 mt -62.43 -43.7 98.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.136 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.9 -44.52 95.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.409 ' O ' ' OG ' ' A' ' 32' ' ' SER . 99.3 m -62.52 -41.47 98.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.947 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.36 -48.11 86.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.53 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -82.97 -12.36 57.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.601 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 29' ' ' THR . 80.5 p -43.16 -57.09 3.1 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.48 -38.44 74.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.172 0.51 . . . . 0.0 111.556 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CD1' ' OD1' ' A' ' 71' ' ' ASN . 23.5 m-85 -80.13 34.33 0.3 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.19 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.3 73.17 1.12 Allowed Glycine 0 N--CA 1.466 0.652 0 C-N-CA 119.994 -1.098 . . . . 0.0 111.358 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.487 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 11.9 p -52.24 108.98 1.21 Allowed Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 121.417 0.627 . . . . 0.0 110.792 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -60.67 156.01 45.06 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 123.2 2.6 . . . . 0.0 112.093 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.1 m -98.2 -10.49 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.371 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 54.6 t0 -158.43 139.55 13.17 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.768 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.426 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 21.0 t -125.85 127.72 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 120.705 0.288 . . . . 0.0 110.395 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 41' ' ' ILE . 80.3 mt -107.82 114.6 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.079 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 mp -116.98 130.1 56.47 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.647 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -62.16 155.31 24.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.164 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 50' ' ' GLU . 58.8 mtp180 -120.09 172.44 7.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.928 0.394 . . . . 0.0 110.938 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -48.26 151.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.637 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -61.9 -8.69 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.637 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.6 -42.24 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 49' ' ' GLY . 13.5 t -99.52 -43.18 6.61 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.152 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 48' ' ' THR . . . 150.12 -174.73 29.47 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 44' ' ' ARG . 78.4 mm-40 51.74 94.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.676 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.436 ' O ' ' CZ ' ' A' ' 54' ' ' PHE . 69.2 m -67.8 152.46 45.54 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -80.93 -178.51 6.89 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.784 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.19 -3.27 37.79 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CZ ' ' O ' ' A' ' 51' ' ' SER . 38.2 p90 -158.49 161.14 37.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.614 0.245 . . . . 0.0 110.901 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.447 ' O ' ' CD1' ' A' ' 56' ' ' TYR . . . -152.84 154.99 36.25 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.683 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.447 ' CD1' ' O ' ' A' ' 55' ' ' ALA . 10.9 m-85 -136.07 135.89 39.74 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.739 0.304 . . . . 0.0 110.691 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.56 144.19 49.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -91.84 127.81 37.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 61' ' ' ASP . 17.3 p90 -96.82 153.88 17.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.744 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.61 -40.81 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 67.3 m-20 -124.75 150.06 46.65 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.145 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -65.42 -34.33 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -58.2 -20.87 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.405 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.3 t -60.97 -40.75 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.869 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.41 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 70.3 p -60.56 -42.32 96.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.707 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.16 -44.24 97.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.209 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 19.5 mt -65.13 -62.91 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.279 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.77 -40.9 42.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 52.9 t -61.97 -67.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.549 -0.461 . . . . 0.0 111.284 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.6 -22.26 66.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.968 0.413 . . . . 0.0 111.892 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' OD1' ' CD1' ' A' ' 34' ' ' TYR . 5.3 m120 -76.91 -48.62 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.55 18.9 19.84 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.867 0.365 . . . . 0.0 111.732 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.9 t30 -77.65 110.65 12.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.61 0.46 79.0 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -78.99 133.36 36.84 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.661 0.267 . . . . 0.0 110.342 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -94.18 133.55 37.57 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.545 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 77' ' ' ILE . 28.8 mt -142.01 125.29 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.481 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . 73.32 15.66 78.87 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.42 -5.85 84.25 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -118.92 134.24 55.3 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.87 113.56 22.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.698 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.39 152.18 42.18 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.063 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -114.87 114.53 25.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 mm -98.37 123.69 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.843 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -154.34 156.61 37.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.303 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -63.21 133.0 53.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.245 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.523 ' OG1' ' N ' ' A' ' 14' ' ' TYR . 11.2 m -89.05 127.06 35.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.072 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -102.12 -10.86 19.29 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.33 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CE2' ' O ' ' A' ' 90' ' ' ARG . 75.3 t80 -75.6 135.51 40.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.658 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' O ' ' CE2' ' A' ' 89' ' ' TYR . 90.3 mtm180 -95.02 152.3 39.43 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.197 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 146.01 58.78 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 123.121 2.547 . . . . 0.0 112.163 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -62.73 -176.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.465 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 94' ' ' SER . 79.2 mtp180 56.08 -174.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.397 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 93' ' ' ARG . 15.8 m 57.97 154.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.669 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 tp -134.11 51.11 2.15 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.438 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 97' ' ' LYS . 95.2 mm-40 42.45 58.6 3.01 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.471 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 96' ' ' GLN . 43.1 pttt 30.99 56.96 0.23 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.801 0.334 . . . . 0.0 110.433 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -55.24 -33.95 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.65 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -51.05 -39.97 57.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.141 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.14 -31.07 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.975 0.417 . . . . 0.0 110.457 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 103' ' ' LYS . . . -59.69 -24.94 64.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.596 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.0 m -48.77 -15.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.6 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 101' ' ' ALA . 25.8 pttm -152.64 152.56 31.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 48.48 58.68 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.093 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' ALA . 96.0 mt-10 -74.4 -32.58 62.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.618 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.01 -32.67 6.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.859 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -79.69 70.93 6.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.781 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -73.16 -30.81 63.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.5 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -105.13 108.04 19.34 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.485 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.417 HG21 HD13 ' A' ' 110' ' ' ILE . 24.2 mm -90.51 118.93 36.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.884 0.373 . . . . 0.0 110.238 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.07 -34.13 67.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.696 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 m 62.33 169.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 52.06 78.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.679 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -84.11 36.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.424 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.0 m120 56.4 38.09 29.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 44.3 34.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.635 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 51.08 -140.58 0.85 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.476 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.483 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.04 140.29 56.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.295 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -87.9 146.43 38.74 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -44.35 -68.55 0.1 OUTLIER 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 122.904 2.403 . . . . 0.0 112.009 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -173.35 148.87 1.6 Allowed Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -69.04 150.38 72.53 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.739 2.293 . . . . 0.0 112.085 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' B' ' 308' ' ' GLU . 14.1 pm0 -73.7 -23.83 59.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.674 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -77.97 128.41 33.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -72.78 -45.57 57.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.102 0.477 . . . . 0.0 110.456 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -140.52 148.8 41.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.475 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -104.32 45.13 0.98 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 95.8 mt -99.99 120.14 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 120.936 0.398 . . . . 0.0 110.538 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 314' ' ' MET . . . . . 0.459 ' N ' ' SD ' ' B' ' 314' ' ' MET . 2.8 mpp? -90.97 151.89 43.78 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.215 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.79 150.79 68.52 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.959 2.439 . . . . 0.0 112.335 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -103.25 176.9 24.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 95.4 p -66.55 -28.1 68.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.974 0.416 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -62.31 -18.99 62.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.76 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.605 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.0 t90 -60.28 -16.6 35.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.165 0.507 . . . . 0.0 111.182 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 35.7 t0 64.27 -31.96 0.13 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.194 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.605 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 106.9 10.64 27.96 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.18 135.1 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -69.96 143.28 52.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . 0.67 ' HE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -138.94 152.48 47.75 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.197 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 66.5 m -130.13 147.94 51.92 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.767 0.318 . . . . 0.0 110.439 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.506 ' N ' ' OD1' ' B' ' 326' ' ' ASN . 8.9 p-10 -127.83 -60.82 1.14 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.73 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . 0.429 ' H ' ' CG ' ' B' ' 326' ' ' ASN . . . -143.11 155.8 26.16 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.518 ' CE1' ' OE2' ' B' ' 329' ' ' GLU . 47.1 p90 -60.43 -26.54 66.81 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.766 0.317 . . . . 0.0 110.703 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.518 ' OE2' ' CE1' ' B' ' 328' ' ' PHE . 40.6 mp0 -58.85 -20.43 50.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.102 0.477 . . . . 0.0 110.553 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -51.24 -22.13 2.51 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.29 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.434 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.2 OUTLIER -51.97 -61.59 2.16 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.7 0.286 . . . . 0.0 111.555 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . 0.434 ' H ' ' HG3' ' B' ' 331' ' ' LYS . 33.2 p-90 -79.93 -23.34 41.8 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.187 0.518 . . . . 0.0 111.093 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.73 -29.83 61.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.51 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.48 94.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.455 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.87 -45.09 75.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.142 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -67.1 -19.96 65.72 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.414 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -83.57 -43.13 16.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.733 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -78.54 -47.35 17.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . 0.405 HD12 HG22 ' B' ' 339' ' ' ILE . 58.8 mt 45.1 72.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.429 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -84.65 161.17 20.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.71 152.32 39.41 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.568 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.409 ' N ' ' CD ' ' B' ' 342' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.218 -0.559 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.33 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.76 139.04 58.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.346 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.8 mmt -99.5 95.73 7.2 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.482 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.8 -71.91 1.03 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.3 m120 58.25 30.91 20.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -89.44 151.13 22.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.55 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -68.34 123.31 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.512 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -174.32 -73.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.999 0.428 . . . . 0.0 110.718 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -87.36 74.78 9.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.415 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.453 ' O ' ' OD1' ' A' ' 10' ' ' ASN . 45.8 p-10 -82.78 137.2 34.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.825 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.565 ' H ' ' NE2' ' A' ' 62' ' ' GLN . . . -87.17 150.58 23.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.489 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -118.52 151.35 38.01 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.791 0.329 . . . . 0.0 110.761 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -106.61 124.27 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -85.74 128.72 34.87 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.627 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -124.03 130.67 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.28 174.85 22.3 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 54.95 37.9 29.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.918 0.39 . . . . 0.0 110.496 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' CD2' ' H ' ' A' ' 18' ' ' LEU . 2.0 pt? -88.9 147.02 24.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.318 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -63.69 141.83 58.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.744 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -61.28 -30.54 70.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.446 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.59 -32.11 65.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.78 117.32 3.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.524 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -104.51 -176.96 3.23 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 110.317 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -61.13 -39.83 91.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.575 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -40.79 96.26 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.01 -40.04 94.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.0 -45.29 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.0 mt -55.26 -47.67 75.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.605 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.422 ' O ' ' OG ' ' A' ' 32' ' ' SER . 70.5 m -61.77 -43.13 99.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.956 0.408 . . . . 0.0 111.253 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.31 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -85.5 -13.14 49.98 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.507 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 29' ' ' THR . 87.8 p -43.81 -62.32 1.15 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -72.87 -33.83 66.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.174 0.512 . . . . 0.0 111.305 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -86.68 35.12 0.66 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.159 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.64 70.58 0.91 Allowed Glycine 0 CA--C 1.523 0.582 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.903 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.553 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 11.7 p -55.7 121.27 38.24 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.348 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.54 157.27 44.8 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 122.975 2.45 . . . . 0.0 112.111 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 m -92.46 -24.3 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.849 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -169.2 153.12 5.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.543 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 m -137.64 149.28 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.102 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -110.61 119.81 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.724 0.297 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -112.68 99.27 7.81 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.5 m -80.52 136.65 36.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.478 ' NH2' ' H ' ' A' ' 50' ' ' GLU . 50.9 ttt-85 -153.92 130.19 10.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.284 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -88.09 109.94 20.26 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.576 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -68.7 -14.73 63.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -61.8 -43.07 99.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.776 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.5 t -131.21 -38.56 1.21 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.573 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.86 -159.94 46.27 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.478 ' H ' ' NH2' ' A' ' 44' ' ' ARG . 93.5 mt-10 56.6 55.54 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 110.7 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.1 p -72.15 168.22 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -66.91 -11.63 56.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.422 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.86 29.87 19.5 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -89.36 141.39 28.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.941 0.401 . . . . 0.0 110.384 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.36 155.54 41.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -112.26 123.49 50.4 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.89 0.376 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -95.72 138.13 33.8 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.7 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -127.54 106.97 9.54 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.776 0.322 . . . . 0.0 111.032 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.553 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 7.0 t80 -117.72 142.88 46.75 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.266 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 15.2 tm-20 -55.25 -52.41 63.48 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.458 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -86.14 112.61 21.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 0.0 110.492 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.565 ' NE2' ' H ' ' A' ' 11' ' ' ALA . 85.8 mt-30 -78.13 -20.05 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -68.96 -34.75 75.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.009 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.2 t -58.36 -38.7 77.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.952 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.8 p -48.21 -26.98 2.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.577 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.0 mt -60.27 -47.9 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.312 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 5.0 mp -66.8 -45.74 77.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.062 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.87 78.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.949 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 98.8 t -65.05 -53.68 38.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.157 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -64.81 -14.93 60.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.737 0.304 . . . . 0.0 111.685 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 24.5 m120 -105.54 -22.67 12.95 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.6 mt -113.36 -7.59 13.48 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.923 0.392 . . . . 0.0 111.315 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 28.9 t-20 -76.19 113.58 13.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 110.432 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.25 3.75 89.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -80.11 123.43 27.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.466 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -72.81 121.81 20.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.12 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 77' ' ' ILE . 14.7 tt -139.45 125.94 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.37 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.03 17.81 75.9 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.82 3.62 80.03 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -125.88 153.15 44.59 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.045 0.45 . . . . 0.0 110.487 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.51 144.24 30.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 mt -88.8 140.58 29.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.869 0.366 . . . . 0.0 110.694 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -131.06 113.92 14.53 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.441 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 50.0 mt -134.94 142.26 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.578 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 84' ' ' ILE . 80.4 m-20 -147.11 157.12 43.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.961 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.19 132.13 35.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.985 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.7 t -137.72 140.37 40.67 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.055 0.455 . . . . 0.0 110.329 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -98.81 15.26 25.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -43.6 117.94 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.08 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -94.18 152.48 40.33 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.31 163.79 30.66 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.997 2.465 . . . . 0.0 111.785 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -55.98 -62.13 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.332 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? 48.48 23.85 0.66 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.486 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t 72.37 51.68 0.18 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.97 45.47 1.3 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 120.846 0.355 . . . . 0.0 110.219 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.52 -39.88 94.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -111.94 128.14 56.07 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.692 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -149.56 116.04 5.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -165.39 -64.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.737 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -62.32 -19.98 63.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.97 -7.91 55.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.536 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 104' ' ' GLU . 7.6 p -62.88 129.24 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.662 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 88.6 tttt 38.81 -92.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 102' ' ' VAL . 77.0 mm-40 -66.32 108.66 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.66 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -94.74 -112.32 0.12 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.194 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.53 -11.35 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.987 0.422 . . . . 0.0 110.126 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -55.17 142.28 31.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.645 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -129.91 -33.86 1.75 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.645 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -83.76 179.91 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.513 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 37.2 pt -139.18 164.23 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.745 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.7 m -93.57 -174.79 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.544 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.8 t 57.71 -123.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.403 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -63.3 140.63 58.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.374 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -137.94 161.35 36.9 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.625 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 45.1 p30 -74.92 -2.65 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.17 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.408 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -149.86 3.25 0.54 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.587 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.519 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' B' ' 303' ' ' ASP . 50.6 p-10 -75.0 139.81 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.491 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -78.41 148.81 74.51 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.157 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.21 146.6 70.4 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.827 2.351 . . . . 0.0 112.124 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . 0.45 ' N ' ' CD ' ' B' ' 307' ' ' PRO . . . -61.57 -50.69 81.39 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.755 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' B' ' 306' ' ' ALA . 68.8 Cg_exo -47.39 134.93 20.48 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.795 2.33 . . . . 0.0 111.94 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' B' ' 308' ' ' GLU . 14.5 pm0 -85.12 -15.84 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.721 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 24.5 p30 -73.19 138.15 45.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.499 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . 0.521 ' NH2' ' CH2' ' B' ' 332' ' ' TRP . 63.9 mmt-85 -61.61 -39.03 89.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.755 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.451 ' CD1' HD22 ' A' ' 67' ' ' LEU . 60.3 m-85 -131.11 -169.48 2.18 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.806 0.336 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -135.47 48.81 2.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 87.6 mt -97.06 118.68 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.437 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 314' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.3 mpt? -89.39 148.72 41.15 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.222 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.62 161.17 47.0 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.991 2.461 . . . . 0.0 112.283 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -117.0 168.21 12.76 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 95.2 p -63.7 -35.59 81.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -59.41 -12.06 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.584 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.0 t90 -60.38 -11.65 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.225 0.536 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 55.95 -1.06 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.929 0.395 . . . . 0.0 111.174 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 75.84 10.76 84.96 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.519 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 53.1 t -65.61 139.62 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.672 0.272 . . . . 0.0 110.294 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -79.0 111.83 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.226 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . 0.587 ' O ' ' NE ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -138.52 114.52 10.09 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 94.3 p -150.71 163.0 39.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.313 . . . . 0.0 110.606 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -84.4 -168.01 2.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.665 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -133.28 -41.95 0.17 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -60.37 -49.75 76.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.786 0.327 . . . . 0.0 110.741 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.88 -21.33 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.783 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -59.37 -49.56 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.718 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -70.0 -27.79 64.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.647 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . 0.594 ' CZ3' ' NE2' ' B' ' 336' ' ' GLN . 48.1 t90 -61.71 -48.66 79.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.426 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.53 -38.09 83.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.233 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.34 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.431 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -63.46 -41.72 98.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.623 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . 0.594 ' NE2' ' CZ3' ' B' ' 332' ' ' TRP . 35.1 mt-30 -59.8 -41.45 91.23 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.338 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -62.97 -40.03 96.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.268 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.4 -43.56 98.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.677 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . 0.401 HG21 HD13 ' B' ' 339' ' ' ILE . 49.3 mm -69.29 -43.44 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.478 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -70.86 121.24 17.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -83.27 121.39 27.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.288 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.421 -179.814 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.56 142.34 53.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.595 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.8 tpt -80.9 128.52 33.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.11 -161.47 49.07 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 26.8 p30 -80.84 143.56 32.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.932 0.396 . . . . 0.0 110.354 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mp0 -64.88 -39.52 93.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -106.11 158.0 17.14 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.511 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.8 mttm 54.96 44.11 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -80.56 81.28 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.625 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.643 HD22 ' HZ1' ' A' ' 58' ' ' LYS . 66.2 t30 -151.31 68.23 0.92 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.549 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.56 157.5 36.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.706 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -120.71 158.54 27.26 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.827 0.346 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -102.18 122.03 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -84.41 126.24 33.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.293 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.2 mt -118.89 121.71 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.29 167.47 23.43 Favored Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 61.44 41.48 12.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.003 0.43 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.49 143.16 26.65 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.175 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -65.42 138.34 58.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.372 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -61.05 -21.17 63.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -77.53 -28.43 51.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.545 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.92 117.67 8.63 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.328 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.1 p -96.64 173.68 7.21 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.385 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -60.08 -42.66 95.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.349 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.03 -40.12 98.49 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.51 -40.68 97.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.886 0.374 . . . . 0.0 110.579 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.42 -41.63 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.155 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.79 -42.84 94.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.074 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.4 m -63.62 -42.86 98.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.934 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.33 -49.61 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -74.83 -14.22 60.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.231 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -43.77 -57.06 3.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.78 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' C ' ' H ' ' A' ' 35' ' ' GLY . 10.3 tp10 -71.9 -39.79 69.32 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.218 0.532 . . . . 0.0 111.604 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' OH ' ' NE ' ' B' ' 324' ' ' ARG . 28.0 m-85 -79.49 33.7 0.25 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.002 -178.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 33' ' ' GLU . . . 99.89 73.47 1.06 Allowed Glycine 0 C--N 1.341 0.84 0 C-N-CA 119.872 -1.156 . . . . 0.0 112.353 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 11.9 p -55.39 114.09 6.66 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-O 121.429 0.633 . . . . 0.0 109.88 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.79 159.97 41.37 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 123.577 2.851 . . . . 0.0 112.883 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.88 -14.53 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.37 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -158.94 147.94 18.61 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 t -137.4 128.4 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.466 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -114.95 115.89 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.902 0.382 . . . . 0.0 110.67 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.37 105.19 6.81 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.494 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -66.59 141.35 57.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.414 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -152.59 145.91 24.77 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.696 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' GLY . 98.4 m-20 -89.04 136.45 33.01 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.592 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -71.56 -31.98 67.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.938 0.399 . . . . 0.0 110.888 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -62.7 -41.38 99.09 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.377 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 p -106.02 -29.68 9.77 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.071 0.462 . . . . 0.0 110.927 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 92.04 8.58 63.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -156.94 161.52 39.63 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.747 0.308 . . . . 0.0 110.654 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.0 p -99.91 -146.12 0.34 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 110.442 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -84.2 -7.16 59.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.173 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.2 43.65 1.36 Allowed Glycine 0 CA--C 1.532 1.098 0 C-N-CA 121.236 -0.507 . . . . 0.0 112.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -138.33 155.25 48.74 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.782 0.325 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.34 158.46 34.36 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.649 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -115.85 145.27 43.0 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.7 0.286 . . . . 0.0 110.41 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mt -121.77 147.93 45.3 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.424 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.643 ' HZ1' HD22 ' A' ' 10' ' ' ASN . 64.3 tttp -129.46 107.94 9.88 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 120.864 0.364 . . . . 0.0 111.194 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.614 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 81.9 t80 -109.25 175.26 5.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.931 0.396 . . . . 0.0 110.007 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.614 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 99.6 mt-10 -75.09 -59.08 2.9 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -110.38 126.69 54.53 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.9 0.381 . . . . 0.0 111.073 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.457 ' O ' ' OG1' ' A' ' 65' ' ' THR . 14.5 tt0 -55.36 -18.81 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.531 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -60.45 -35.47 75.93 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.511 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 94.2 p -61.66 -22.97 65.76 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.258 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 51.1 p -60.52 -26.55 66.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.35 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.94 -38.36 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.334 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 40.1 mt -68.59 -43.1 77.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.442 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.08 -51.09 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.933 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 70' ' ' ASP . 20.6 m -66.42 -51.3 59.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 111.801 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 42.8 t0 -56.71 -12.49 1.89 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -116.47 -52.46 2.57 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 3.7 mm? -79.24 -10.36 59.8 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -74.45 109.86 8.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.908 0.385 . . . . 0.0 110.075 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.19 3.64 78.79 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' B' ' 325' ' ' SER . 35.9 t80 -78.48 128.28 33.35 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.4 126.81 32.08 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.163 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.409 HG22 HD12 ' A' ' 77' ' ' ILE . 30.4 mt -140.06 113.35 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.143 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.76 21.91 78.81 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.66 -10.87 73.63 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -112.78 147.65 36.45 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 122.554 -0.38 . . . . 0.0 110.329 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.48 139.92 32.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.611 0.243 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.48 145.24 30.83 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -123.27 100.7 6.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.737 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mm -96.29 141.55 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.237 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -156.99 151.78 25.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.634 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -78.55 142.78 37.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.757 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.7 t -153.41 142.05 20.91 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.139 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.9 27.01 2.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.073 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -46.35 117.48 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.292 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -78.98 146.44 68.0 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.198 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.83 148.84 46.8 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 123.022 2.481 . . . . 0.0 112.026 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 64.6 tttp -80.8 129.59 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.375 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 92' ' ' LYS . 29.1 ttm-85 76.98 128.64 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.349 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.4 m -139.33 55.33 1.69 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.782 0.325 . . . . 0.0 110.761 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.35 -123.79 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 72.61 -52.0 0.7 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.823 0.344 . . . . 0.0 110.364 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -153.16 137.71 16.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.462 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -154.74 154.61 33.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.55 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -146.56 -40.12 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.152 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.73 1.04 7.44 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.932 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -108.82 14.67 24.11 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.523 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 87.0 t -108.59 -83.38 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.694 0.283 . . . . 0.0 111.312 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -61.35 -47.59 85.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.373 . . . . 0.0 110.92 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -62.88 -37.68 87.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -59.42 -40.54 87.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.389 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.2 tp -84.68 76.41 10.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' A' ' 109' ' ' ASP . 34.4 t70 -167.46 -110.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' N ' ' CG ' ' A' ' 107' ' ' ASP . 97.0 mtt-85 54.81 -81.28 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.591 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 107' ' ' ASP . 63.4 t0 -61.48 -39.1 89.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.42 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 mm -73.92 124.08 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.389 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.72 140.98 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 79.3 p -110.35 102.21 10.88 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.77 0.319 . . . . 0.0 110.786 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -165.18 136.8 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.531 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -141.13 114.27 8.59 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 110.725 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -85.14 68.61 10.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.212 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.46 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.793 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.11 135.27 49.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.725 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.659 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.16 139.75 58.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.703 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . 0.483 ' O ' ' O ' ' B' ' 305' ' ' PRO . 62.2 mttp -70.95 150.99 95.09 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . 0.483 ' O ' ' O ' ' B' ' 304' ' ' LYS . 68.1 Cg_exo -42.18 177.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 123.223 2.616 . . . . 0.0 112.077 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -54.5 138.58 59.96 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.29 151.79 60.62 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 123.136 2.557 . . . . 0.0 112.235 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -87.6 86.28 7.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.143 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -142.99 128.31 18.82 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.863 0.364 . . . . 0.0 110.781 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -66.16 -29.14 69.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.705 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -83.84 -177.44 6.69 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -109.0 22.71 15.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.183 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 77.6 mt -86.98 115.74 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 13.2 mmt -81.59 149.98 65.64 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.721 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.53 154.2 68.98 Favored 'Trans proline' 0 N--CA 1.502 2.003 0 C-N-CA 123.087 2.525 . . . . 0.0 112.097 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -111.93 172.49 14.88 Favored Glycine 0 N--CA 1.469 0.842 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 74.9 m -61.97 -28.7 69.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.896 0.379 . . . . 0.0 110.483 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -57.53 -27.6 62.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.6 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.6 t90 -59.68 -21.58 60.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.094 0.473 . . . . 0.0 111.295 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 58.12 -4.93 0.05 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.6 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 77.34 20.71 74.51 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.36 150.48 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.664 0.269 . . . . 0.0 110.375 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -69.16 128.61 37.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . 0.401 ' NE ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -140.36 135.59 32.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.746 0.308 . . . . 0.0 110.443 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 325' ' ' SER . . . . . 0.442 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 51.0 m -137.77 153.61 49.68 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.649 0.261 . . . . 0.0 110.849 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -87.02 -0.66 57.0 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.678 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . 96.28 -153.88 20.61 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -55.49 -21.33 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.684 0.278 . . . . 0.0 110.657 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.79 -24.21 56.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.86 0.362 . . . . 0.0 110.766 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.89 -19.07 26.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.419 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -54.36 -27.51 36.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -60.89 -46.03 92.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.18 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -66.26 -39.8 89.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.445 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.15 98.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -63.43 -44.71 93.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.44 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -64.5 -38.0 89.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.437 . . . . 0.0 110.944 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -69.32 -42.35 75.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.221 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -70.49 -46.3 64.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.974 0.416 . . . . 0.0 111.739 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 19.5 tt -66.66 -35.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.977 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -84.2 99.75 10.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.304 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -99.3 -43.07 6.73 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.6 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.02 -12.8 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.649 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 35.4 mtt -74.38 66.07 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.589 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.35 -13.13 73.54 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -91.68 -4.39 55.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.754 0.311 . . . . 0.0 110.504 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -141.81 132.47 25.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.545 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -149.77 119.61 7.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.584 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -112.1 -158.2 0.64 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.742 0.306 . . . . 0.0 110.497 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 56.44 40.13 29.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.606 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -83.9 61.97 6.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.351 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.94 118.67 18.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.652 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -133.88 141.5 47.4 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.536 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.43 144.75 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.303 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -95.52 113.11 24.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.054 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.3 mt -104.15 123.82 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.527 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.13 -177.54 15.07 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 61.36 29.14 18.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.565 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -102.24 140.28 36.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.216 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -68.96 135.67 51.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -56.47 -20.79 21.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.436 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.77 -31.77 73.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.564 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.91 126.47 27.43 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.2 p -97.66 174.36 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.476 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.74 -43.35 94.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.346 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.71 -39.3 97.36 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.57 -43.58 97.13 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 110.753 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.67 -43.87 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.247 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' ' OG ' ' A' ' 32' ' ' SER . 7.8 mt -57.13 -48.12 79.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.784 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.1 m -61.57 -41.77 97.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.043 0.449 . . . . 0.0 110.575 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.94 -45.66 97.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.03 -13.28 44.89 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 27.0 m -51.24 -54.56 24.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.847 0.356 . . . . 0.0 111.906 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 83.5 tt0 -62.41 -19.52 63.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CZ ' ' OD1' ' A' ' 71' ' ' ASN . 48.7 m-85 -107.94 33.57 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.42 74.98 1.21 Allowed Glycine 0 C--N 1.341 0.846 0 C-N-CA 120.304 -0.951 . . . . 0.0 111.708 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 7.5 p -51.87 112.71 3.43 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-O 121.361 0.6 . . . . 0.0 110.649 -177.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -55.33 160.15 9.2 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 123.225 2.616 . . . . 0.0 111.868 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.1 m -90.82 -25.04 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.592 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -169.24 151.33 4.59 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.6 146.22 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.235 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.1 mt -105.46 117.6 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.325 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -110.33 98.95 8.06 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.468 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.6 m -78.43 146.73 34.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.675 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -155.01 149.01 25.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.584 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 49' ' ' GLY . 64.9 t0 -87.7 116.98 26.21 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.529 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -63.87 -21.12 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.739 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -61.54 -40.07 93.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.351 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 t -119.43 -7.2 10.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.775 0.322 . . . . 0.0 110.51 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 77.03 20.25 76.12 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -170.58 168.56 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.735 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.459 ' HG ' ' H ' ' A' ' 52' ' ' GLN . 14.5 t -139.89 -151.49 0.37 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.68 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' H ' ' HG ' ' A' ' 51' ' ' SER . 98.4 mm-40 -69.15 -10.42 57.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.417 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.37 16.23 53.57 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -83.62 148.81 26.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.758 0.313 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.62 153.32 29.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -105.99 120.99 43.19 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.069 0.462 . . . . 0.0 110.11 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 tt -100.14 122.08 42.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.51 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -91.13 121.67 33.11 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.724 0.297 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.52 135.21 42.31 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.782 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.31 -43.18 98.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.445 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -126.35 138.66 53.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.71 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.493 ' O ' ' OG1' ' A' ' 65' ' ' THR . 49.4 tt0 -64.02 -35.56 81.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.9 -37.59 79.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.788 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -62.38 -36.57 82.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.98 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 38.7 p -55.09 -30.98 60.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.348 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.44 -44.65 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 32.3 mt -59.79 -51.09 71.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.233 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.63 -47.78 77.27 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.075 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 75.7 t -63.64 -52.55 56.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.175 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.82 -29.85 70.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.906 0.384 . . . . 0.0 111.824 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.558 ' OD1' ' CZ ' ' A' ' 34' ' ' TYR . 23.4 t-20 -84.54 -48.91 9.08 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 4.4 mm? -77.35 -28.87 53.17 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.828 0.347 . . . . 0.0 111.478 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 51.7 t30 -68.7 116.07 8.78 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.933 0.397 . . . . 0.0 110.465 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.59 -0.65 63.36 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CD1' ' HA ' ' B' ' 326' ' ' ASN . 34.3 t80 -94.2 127.25 39.93 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.794 0.331 . . . . 0.0 110.277 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -83.46 123.3 29.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 77' ' ' ILE . 22.4 mt -133.3 119.29 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.408 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.45 15.28 81.14 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.72 7.88 64.29 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -141.97 151.9 42.96 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.65 0.262 . . . . 0.0 110.775 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.46 146.85 24.97 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.032 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.16 156.47 29.85 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.548 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -127.06 101.87 6.73 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 mt -121.78 147.12 25.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.319 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -157.47 164.45 37.42 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -88.54 119.77 29.31 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.676 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.434 HG21 ' H ' ' A' ' 89' ' ' TYR . 14.9 t -109.14 -21.21 12.7 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.822 0.344 . . . . 0.0 110.577 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 42.38 31.19 0.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.653 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.434 ' H ' HG21 ' A' ' 87' ' ' THR . 36.1 t80 -62.16 139.18 58.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.2 ttt85 -97.63 111.57 59.06 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.792 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.51 137.21 48.93 Favored 'Trans proline' 0 N--CA 1.503 2.036 0 C-N-CA 123.329 2.686 . . . . 0.0 111.923 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt 54.05 92.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.65 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -52.98 134.36 37.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.3 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.3 t -65.14 138.36 58.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.542 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.1 tt -116.29 106.82 14.1 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.211 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 98' ' ' TYR . 64.1 tt0 -139.67 142.73 36.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.565 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.554 ' C ' ' H ' ' A' ' 99' ' ' TYR . 39.1 tptt 60.79 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.217 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.505 ' CD2' ' O ' ' A' ' 98' ' ' TYR . 32.2 t80 49.11 9.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.813 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.554 ' H ' ' C ' ' A' ' 97' ' ' LYS . 2.0 t80 -82.79 -43.43 16.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -84.43 -13.23 52.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.483 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.36 7.08 40.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.657 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.2 -47.73 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.494 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -171.03 -62.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -78.51 132.96 37.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 107' ' ' ASP . 4.3 pt-20 -135.06 111.68 9.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.226 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.5 mp 54.48 6.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.106 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 105' ' ' GLU . 98.9 m-20 -67.01 142.15 57.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -128.4 5.13 5.7 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.874 0.368 . . . . 0.0 110.628 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.57 -11.64 58.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.2 pt -56.34 -22.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 p -98.1 143.84 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.459 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 92.2 p -155.46 159.05 39.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.537 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -127.55 13.3 7.0 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.627 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -92.96 16.1 13.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.554 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -69.5 -2.85 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.595 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.97 146.03 25.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -164.03 160.94 22.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.6 mptt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.389 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 63.4 t80 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.87 134.61 55.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.554 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.96 147.85 78.59 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.82 66.15 2.4 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.043 2.495 . . . . 0.0 111.976 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . 51.52 81.02 0.27 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.08 136.61 45.18 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.814 2.342 . . . . 0.0 112.048 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -93.06 152.33 19.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.617 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . 0.469 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 29.0 p30 -145.41 140.7 27.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -66.06 -41.14 91.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.476 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -115.87 -178.77 3.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.978 0.418 . . . . 0.0 110.182 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -111.04 25.08 12.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.7 mt -99.46 119.75 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.885 0.374 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.86 149.58 60.07 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.201 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.63 156.02 64.8 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 123.265 2.644 . . . . 0.0 112.002 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -102.38 163.27 16.7 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 317' ' ' SER . . . . . 0.57 ' C ' ' H ' ' B' ' 319' ' ' TRP . 96.6 p -65.32 -31.81 73.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.013 0.435 . . . . 0.0 110.679 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 318' ' ' ARG . 17.0 ttp180 -66.0 9.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.519 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.662 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.0 t90 -81.71 -5.28 57.97 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.139 0.495 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 32.5 t0 63.37 -24.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.662 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 90.86 12.54 60.39 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.548 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 30.1 m -71.97 151.68 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 110.429 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -82.2 109.96 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.141 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -129.53 109.41 11.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 109.985 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 89.0 p -154.55 165.2 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.41 ' HA ' ' CD1' ' A' ' 75' ' ' PHE . 64.8 t-20 -117.89 126.31 52.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -56.59 -32.18 61.06 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -54.51 -45.75 73.36 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 72.7 tt0 -70.83 -30.9 67.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.107 0.479 . . . . 0.0 110.398 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -65.67 -23.64 66.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.834 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 8.3 ptmm? -48.37 -48.45 36.63 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.339 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . 0.589 ' CZ2' ' CD2' ' B' ' 333' ' ' PHE . 61.6 p-90 -87.24 -36.7 17.8 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.143 0.497 . . . . 0.0 110.935 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . 0.589 ' CD2' ' CZ2' ' B' ' 332' ' ' TRP . 0.1 OUTLIER -60.07 -36.3 77.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' B' ' 338' ' ' GLU . . . -61.4 -46.94 88.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.286 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -66.12 -34.29 77.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.687 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.91 -43.24 99.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.108 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.37 -41.59 98.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.418 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' B' ' 338' ' ' GLU . 0.2 OUTLIER -63.54 -42.41 98.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.662 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.11 123.8 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -159.12 150.71 20.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.475 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 39.87 -113.98 0.16 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.648 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.346 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.11 137.7 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.1 tpt -79.36 -58.93 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.951 0.405 . . . . 0.0 110.68 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.2 -123.54 2.22 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 56.85 39.53 29.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.778 0.323 . . . . 0.0 110.604 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -157.64 136.27 11.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -149.52 -80.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.561 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? 52.53 85.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -132.05 45.04 2.83 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 110.69 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -146.3 45.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.408 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.22 143.08 41.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.74 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -122.04 145.15 48.43 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.511 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -97.83 116.01 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -79.11 118.53 21.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.412 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.7 mt -108.77 121.09 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.586 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.03 -178.32 15.35 Favored Glycine 0 N--CA 1.469 0.839 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 55.43 37.39 28.82 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.767 0.317 . . . . 0.0 110.674 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -104.45 144.36 31.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.395 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 59.6 t-20 -81.45 140.3 34.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.603 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 8.1 ptp180 -60.65 -17.62 48.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.643 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.17 -14.51 63.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -87.86 132.81 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.43 -175.44 2.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 110.313 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -62.8 -40.52 97.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.351 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.4 -42.34 99.12 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.72 -44.3 97.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.665 0.269 . . . . 0.0 110.676 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 27' ' ' ILE . 87.1 mt -63.63 -44.6 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' SER . 22.7 mt -58.23 -47.31 83.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.625 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.2 m -61.11 -42.97 99.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.004 0.43 . . . . 0.0 111.216 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.8 -47.87 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.025 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 72' ' ' LEU . 41.6 m-85 -87.3 -13.87 42.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 0.0 111.549 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 28' ' ' LEU . 19.6 t -45.91 -58.43 3.55 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -66.49 -12.01 55.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.118 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.617 ' CE2' ' ND2' ' A' ' 71' ' ' ASN . 53.0 m-85 -113.34 33.01 5.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' C ' ' CE1' ' A' ' 59' ' ' TYR . . . 100.88 71.94 0.96 Allowed Glycine 0 C--N 1.341 0.821 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.68 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.481 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 11.1 p -53.95 110.41 2.06 Favored Pre-proline 0 CA--C 1.543 0.685 0 CA-C-O 121.356 0.598 . . . . 0.0 110.529 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.05 151.28 51.17 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 123.159 2.573 . . . . 0.0 112.141 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.444 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 15.8 m -92.18 -20.99 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.026 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 38' ' ' VAL . 41.8 m-20 -158.19 127.53 5.77 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.517 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -112.43 127.46 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.418 HD12 HG21 ' A' ' 41' ' ' ILE . 80.6 mt -101.58 119.1 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.022 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.36 130.03 56.67 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.227 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.572 ' HG ' ' HZ2' ' A' ' 92' ' ' LYS . 75.7 m -81.0 136.4 35.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.01 128.85 18.38 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.432 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 49' ' ' GLY . 97.8 m-20 -89.61 114.41 26.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.827 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -72.52 -22.58 61.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.659 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -64.87 -40.82 95.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.5 p -114.2 -25.84 8.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 87.92 6.75 75.37 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -114.52 -177.81 3.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.838 0.351 . . . . 0.0 110.569 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.7 p -151.42 159.04 44.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.542 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -65.56 -31.67 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.331 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.48 42.9 1.31 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -134.25 153.58 51.78 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.853 0.359 . . . . 0.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.57 160.18 42.38 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.599 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.14 140.1 44.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.494 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -111.62 139.89 46.69 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.018 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -131.04 114.46 15.2 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.414 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CE1' ' C ' ' A' ' 35' ' ' GLY . 69.9 t80 -112.49 166.01 11.71 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.97 0.414 . . . . 0.0 110.121 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 60.8 mm-40 -62.7 -48.18 80.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.937 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -113.33 116.81 30.29 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.931 0.396 . . . . 0.0 111.455 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' OG1' ' A' ' 65' ' ' THR . 24.2 pt20 -56.41 -19.49 15.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 110.68 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -63.79 -36.01 82.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -60.82 -21.83 63.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.774 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 38.9 p -59.06 -34.08 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.992 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 66' ' ' ILE . 98.2 mt -62.35 -43.32 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.411 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.16 -47.68 84.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.82 90.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.964 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 42.7 t -56.81 -67.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.423 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -56.67 -42.74 79.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.952 0.405 . . . . 0.0 111.986 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.617 ' ND2' ' CE2' ' A' ' 34' ' ' TYR . 34.3 t30 -63.27 -45.62 90.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 84.2 mt -90.94 -16.78 27.49 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 36.2 t30 -74.4 117.04 15.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.576 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.43 6.66 68.1 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -99.67 125.93 45.6 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 110.309 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -84.96 124.73 32.01 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.455 ' C ' ' H ' ' A' ' 79' ' ' GLY . 71.0 mt -133.24 127.88 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.2 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.32 -39.14 1.43 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 77' ' ' ILE . . . 156.25 -8.71 0.27 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -127.1 152.85 46.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.711 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.48 131.19 35.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.67 135.78 56.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.64 100.71 9.45 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.352 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mm -98.93 127.34 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -145.32 152.41 39.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -82.96 136.55 34.5 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.684 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.1 t -149.22 159.2 44.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.677 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -139.9 36.86 1.97 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.74 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -51.51 152.92 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.387 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -71.41 120.26 78.73 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.14 161.11 1.72 Allowed 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 123.124 2.549 . . . . 0.0 112.108 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.572 ' HZ2' ' HG ' ' A' ' 43' ' ' SER . 62.2 pttt -134.79 158.55 43.9 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.571 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -157.53 160.16 37.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.9 m -131.12 145.73 52.09 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 tp -158.5 -1.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.432 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.46 -39.12 92.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.656 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -59.64 -43.82 93.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -71.55 -39.59 70.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.81 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.427 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 91.2 t80 -51.43 -48.49 62.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.247 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.75 -36.37 73.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.31 -17.78 61.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.994 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.427 ' CG1' ' O ' ' A' ' 99' ' ' TYR . 4.3 p -51.3 -29.75 9.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.637 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -141.54 -42.6 0.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -105.79 101.28 10.8 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.192 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -62.44 -41.25 98.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.8 tp -167.2 20.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.545 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -83.25 89.45 6.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.586 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.435 ' C ' ' H ' ' A' ' 110' ' ' ILE . 41.2 mmm-85 -97.54 -169.97 1.93 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -72.43 46.71 0.15 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.435 ' H ' ' C ' ' A' ' 108' ' ' ARG . 6.1 tp -57.63 -27.32 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.48 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.8 m -63.98 -17.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.654 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.7 m -60.47 112.61 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.615 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.427 ' O ' ' OD1' ' A' ' 115' ' ' ASN . 98.2 mttt 43.92 33.01 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.628 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 48.97 -110.17 0.38 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.55 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 113' ' ' LYS . 16.3 m120 51.19 -152.15 0.21 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -162.18 150.2 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -136.55 147.41 47.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.509 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.555 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.18 140.98 58.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.561 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 305' ' ' PRO . 68.9 mttm -76.22 149.3 81.92 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' B' ' 304' ' ' LYS . 52.0 Cg_exo -48.88 -169.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 123.061 2.508 . . . . 0.0 112.152 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -70.63 158.44 87.87 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.636 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.31 151.72 76.19 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.803 2.335 . . . . 0.0 111.994 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.94 168.02 11.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -80.01 130.51 35.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.724 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -87.26 -50.01 6.88 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.772 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -76.76 113.16 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.265 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -92.98 71.47 4.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.441 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.6 mt -71.7 125.82 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 314' ' ' MET . . . . . 0.599 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.6 pmm? -72.0 157.38 89.58 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.233 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.84 152.09 80.66 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.991 2.461 . . . . 0.0 112.275 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -104.33 164.42 14.87 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 317' ' ' SER . . . . . 0.526 ' C ' ' H ' ' B' ' 319' ' ' TRP . 42.5 t -62.44 -43.31 99.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.928 0.394 . . . . 0.0 110.791 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -65.88 6.04 0.41 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.59 ' C ' ' H ' ' B' ' 321' ' ' GLY . 23.0 t90 -68.51 -21.57 64.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.241 0.543 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 22.5 t0 67.23 -33.5 0.21 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.7 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.59 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 109.61 12.73 18.36 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.531 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 83.9 t -86.62 123.64 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.172 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . 0.71 ' CD2' ' H ' ' B' ' 323' ' ' HIS . 0.1 OUTLIER -82.4 124.43 30.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.344 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -139.29 107.32 5.71 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.752 0.31 . . . . 0.0 110.226 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 87.0 p -158.38 166.02 33.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.582 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 71' ' ' ASN . 40.5 p-10 -143.51 8.82 1.57 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.76 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.01 109.62 3.46 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -63.79 -46.83 83.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.033 0.444 . . . . 0.0 110.541 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 47.2 mt-10 -58.09 -20.4 39.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.392 0.615 . . . . 0.0 111.052 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -54.58 -20.31 7.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.701 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.511 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.0 OUTLIER -56.35 -62.8 1.47 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.419 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . 0.511 ' H ' ' HG3' ' B' ' 331' ' ' LYS . 49.0 p-90 -70.12 -26.19 63.84 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 110.593 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -74.59 -40.3 61.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.184 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.05 96.65 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -65.77 -38.97 90.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.638 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -61.03 -43.02 99.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.342 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . 0.486 ' O ' ' OD1' ' B' ' 340' ' ' ASN . 69.3 m-80 -76.05 -26.48 56.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.179 0.514 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -66.6 -38.61 87.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.992 0.425 . . . . 0.0 111.033 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 44.6 pt -79.03 12.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.606 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . 0.533 ' C ' ' OD1' ' B' ' 340' ' ' ASN . 25.3 p30 -117.93 2.85 12.18 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -64.17 157.7 24.94 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt . . . . . 0 C--O 1.221 -0.397 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.575 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.85 47.08 25.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.354 . . . . 0.0 110.532 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.8 mmt -62.14 -40.48 96.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.371 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.39 -133.55 52.64 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -102.68 7.63 39.74 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.704 0.288 . . . . 0.0 110.461 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -91.72 139.46 30.65 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.456 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -149.4 34.83 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -75.78 79.87 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.309 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -167.42 21.56 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.687 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -93.42 100.72 12.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.17 145.87 24.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.149 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -123.72 138.09 54.58 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.755 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.418 HG22 HD13 ' A' ' 13' ' ' ILE . 8.5 pt -130.2 154.66 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.945 0.402 . . . . 0.0 110.318 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -94.89 125.95 39.89 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -120.49 103.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.05 177.18 16.38 Favored Glycine 0 N--CA 1.47 0.964 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.456 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 28.0 t-20 61.05 42.23 12.81 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.844 0.354 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.2 157.49 17.25 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.183 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -82.6 138.98 34.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.258 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -59.61 -24.58 63.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -62.08 -28.48 69.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.633 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 8.3 mp -72.29 127.14 31.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -107.02 -171.87 1.97 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.54 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.9 -42.28 93.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.02 98.71 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.56 -44.42 96.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.844 0.355 . . . . 0.0 110.774 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.59 -45.46 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 32' ' ' SER . 25.0 mt -61.33 -47.33 86.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' B' ' 319' ' ' TRP . 17.1 m -61.97 -40.89 97.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 0.0 111.108 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.88 -50.62 79.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.738 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -87.5 -15.44 37.57 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.106 0.479 . . . . 0.0 111.751 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.0 t -45.94 -55.62 6.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.75 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.504 ' OE1' ' CE2' ' B' ' 319' ' ' TRP . 24.4 pt-20 -64.1 -11.86 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -112.77 33.99 4.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.4 69.89 0.99 Allowed Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.022 -1.085 . . . . 0.0 111.362 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.469 ' O ' ' OE2' ' A' ' 60' ' ' GLU . 4.7 p -55.54 127.93 67.23 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.922 -177.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.6 161.84 41.19 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 123.569 2.846 . . . . 0.0 111.756 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.7 m -88.81 -13.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.715 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -168.72 148.46 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.789 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.32 130.09 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.418 HD11 HG21 ' A' ' 41' ' ' ILE . 80.6 mt -94.76 112.32 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.538 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mp -115.89 96.26 5.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.503 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.4 t -74.39 132.77 42.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.125 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.8 mtt-85 -124.18 132.12 53.59 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.824 0.345 . . . . 0.0 110.92 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 49' ' ' GLY . 61.8 t0 -80.58 146.83 31.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 55.7 mp0 -68.9 -38.96 79.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.94 0.4 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.04 -41.44 99.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.414 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.714 ' HG1' ' H ' ' A' ' 50' ' ' GLU . 12.5 p -95.03 -39.1 10.33 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.021 0.438 . . . . 0.0 111.029 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.598 ' N ' ' HG1' ' A' ' 48' ' ' THR . . . 86.92 11.07 70.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.714 ' H ' ' HG1' ' A' ' 48' ' ' THR . 0.2 OUTLIER -150.42 172.27 15.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.759 0.314 . . . . 0.0 110.56 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -71.42 148.15 47.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.678 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -75.66 3.49 9.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.239 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.14 39.91 1.75 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -151.74 151.3 31.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.717 0.294 . . . . 0.0 110.612 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.65 163.1 35.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.739 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -136.72 122.21 19.55 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.839 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.566 ' H ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -106.11 138.35 42.45 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.764 0.316 . . . . 0.0 110.307 -179.769 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -84.27 105.14 14.89 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.77 138.29 37.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.59 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 36' ' ' VAL . 45.7 mp0 -70.49 -43.24 70.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.35 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -119.25 124.91 47.88 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.117 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' O ' ' OG1' ' A' ' 65' ' ' THR . 64.1 tt0 -62.56 -34.59 77.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.504 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' N ' ' CD ' ' A' ' 63' ' ' ARG . 11.6 mpt_? -59.18 -33.06 70.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.313 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.1 t -59.56 -37.87 79.6 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.755 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 68.7 p -57.2 -33.57 67.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.683 -179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.06 -40.36 88.73 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 CA-C-O 120.987 0.422 . . . . 0.0 110.419 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 44.1 mt -69.5 -38.34 77.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.939 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.72 87.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.026 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.417 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 25.7 m -74.7 -42.76 47.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 121.238 0.542 . . . . 0.0 111.058 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.08 -15.99 16.83 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.619 -178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' B' ' 326' ' ' ASN . 3.9 t30 -116.63 -49.07 2.66 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -78.75 -21.93 47.22 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 64.7 t30 -68.69 118.51 11.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.0 0.429 . . . . 0.0 110.523 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.58 10.34 67.74 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -104.14 117.28 33.88 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -67.61 125.89 27.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.771 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.2 tt -137.09 131.86 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.611 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.39 23.97 73.56 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.91 0.56 90.32 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.29 150.57 47.88 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.864 0.364 . . . . 0.0 110.655 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.05 120.02 33.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.591 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.63 151.82 34.16 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.486 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -110.39 115.81 30.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.441 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mm -106.57 128.32 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.138 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 43.7 t0 -156.54 145.46 20.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.722 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.484 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 20.8 m170 -70.49 141.61 51.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.166 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.0 t -129.81 126.27 37.68 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.754 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -76.22 7.42 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.383 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -53.9 120.88 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -98.04 149.51 35.81 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.68 129.69 25.71 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 123.037 2.491 . . . . 0.0 111.756 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -77.51 136.9 38.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 74.58 45.66 0.17 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.2 m -128.49 117.8 21.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.51 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.7 tp -160.43 103.19 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.428 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.451 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 3.9 mp0 -100.14 -44.51 5.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.746 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.503 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 26.8 ttmt -169.14 13.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 97' ' ' LYS . 36.8 p90 34.85 40.44 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.028 0.442 . . . . 0.0 110.689 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -56.76 -32.1 65.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.59 -22.46 13.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.46 84.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.7 m -96.09 20.72 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.909 0.385 . . . . 0.0 111.265 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -81.23 24.15 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.281 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 53.55 40.57 31.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.578 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -65.36 -42.71 92.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.464 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.27 -39.42 11.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 109' ' ' ASP . 59.6 m-20 -61.7 -156.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.419 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 57.42 -81.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.063 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 107' ' ' ASP . 97.0 m-20 -67.24 -40.01 86.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.153 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' A' ' 109' ' ' ASP . 25.9 mt 53.82 165.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.342 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.8 m -59.43 -23.34 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.5 m -69.86 -21.52 63.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.473 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.7 mttp 56.98 -124.8 1.82 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -100.11 20.27 14.83 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.862 0.363 . . . . 0.0 110.738 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 34.8 m120 54.84 37.83 29.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -17.64 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -61.43 -38.86 88.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.308 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.0 pttt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.567 179.859 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -77.05 120.89 22.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -91.67 146.8 33.83 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.54 -174.74 1.55 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 123.151 2.568 . . . . 0.0 111.914 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -116.87 149.28 43.78 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.31 148.13 60.84 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 123.019 2.479 . . . . 0.0 112.006 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' B' ' 308' ' ' GLU . 0.8 OUTLIER -147.83 150.64 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.462 179.672 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -80.36 127.76 32.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.66 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -87.64 -22.76 24.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -109.3 171.86 7.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.085 -179.376 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -137.65 70.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.365 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 83.3 mt -93.78 128.37 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.717 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 25.8 mmt -83.78 147.97 53.2 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.66 154.74 59.52 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 123.195 2.597 . . . . 0.0 112.14 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -99.44 173.89 26.58 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 69.0 m -68.78 -28.9 67.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.367 . . . . 0.0 110.642 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -58.93 -16.78 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.709 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.58 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.9 t90 -60.07 -25.25 65.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.107 0.479 . . . . 0.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 24.0 t0 65.79 -11.47 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 80.93 13.68 80.82 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 9.6 p -53.96 151.88 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 120.677 0.275 . . . . 0.0 110.815 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.86 106.2 3.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.958 0.408 . . . . 0.0 110.677 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -137.97 149.66 46.33 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.527 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 99.0 p -81.65 142.6 32.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.899 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.417 ' HA ' ' ND2' ' A' ' 71' ' ' ASN . 2.9 m-80 -150.17 179.6 7.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -73.76 77.28 0.95 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -62.41 -23.37 66.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.768 0.318 . . . . 0.0 110.358 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -56.64 -19.6 17.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -48.21 -34.88 10.84 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.447 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -28.74 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.275 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . 0.64 ' CH2' ' NE2' ' B' ' 336' ' ' GLN . 18.1 t90 -62.61 -44.78 95.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.134 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.27 -39.36 86.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.247 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.693 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.85 -42.37 99.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.51 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . 0.64 ' NE2' ' CH2' ' B' ' 332' ' ' TRP . 87.1 mt-30 -61.87 -43.23 99.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -65.75 -39.99 91.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.69 -49.12 78.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.786 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.65 -45.63 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.81 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -85.87 110.41 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -80.35 115.94 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.179 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.568 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.63 155.32 37.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.816 0.341 . . . . 0.0 110.583 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.2 ttm -84.72 129.27 34.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.2 60.27 8.6 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 6' ' ' GLU . 56.7 t30 -51.3 111.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 0.0 110.748 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 5' ' ' ASN . 69.0 mm-40 48.86 177.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.631 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -135.0 149.51 50.19 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.4 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -47.27 112.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -143.96 128.71 18.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.505 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -102.77 5.9 39.05 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.63 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 12' ' ' TYR . . . -64.29 121.81 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' A' ' 11' ' ' ALA . 15.0 m-85 -158.4 136.0 10.32 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -118.44 130.08 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.761 0.315 . . . . 0.0 110.16 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -88.22 127.97 35.45 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.816 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.8 mt -121.27 108.55 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.138 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.98 174.39 15.55 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 57.4 40.03 27.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.761 0.315 . . . . 0.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.9 155.03 18.95 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.371 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -80.81 128.63 33.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.327 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -61.05 -22.58 64.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.37 -27.61 68.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 9.3 mp -77.99 128.93 34.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.2 p -96.04 -178.25 4.28 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -61.96 -42.18 98.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.409 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.32 -42.08 99.68 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -63.77 -47.27 81.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.759 0.314 . . . . 0.0 110.707 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.408 HD12 HG23 ' A' ' 27' ' ' ILE . 93.5 mt -62.28 -43.26 97.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.584 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' SER . 18.2 mt -55.73 -45.94 77.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.401 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.4 m -62.61 -40.74 97.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.412 . . . . 0.0 111.104 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.09 -48.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -86.8 -14.82 41.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.391 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.486 ' HG ' ' CA ' ' B' ' 319' ' ' TRP . 14.3 t -47.73 -57.53 5.44 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 34' ' ' TYR . 20.8 pt-20 -66.62 -11.77 55.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.496 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.672 ' CZ ' ' ND2' ' A' ' 71' ' ' ASN . 20.3 m-85 -114.04 33.62 5.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.33 70.51 0.89 Allowed Glycine 0 C--N 1.341 0.816 0 C-N-CA 120.147 -1.025 . . . . 0.0 111.631 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 7.3 p -56.9 122.52 53.17 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-O 120.987 0.422 . . . . 0.0 110.635 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.16 159.11 44.64 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 123.013 2.475 . . . . 0.0 112.38 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.4 m -98.53 -12.64 8.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.135 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -159.64 133.59 7.4 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 t -126.79 127.6 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -93.39 120.3 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 120.872 0.368 . . . . 0.0 110.724 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 4.0 mm? -100.35 97.79 8.51 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.99 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.53 ' OG ' ' CZ ' ' A' ' 54' ' ' PHE . 87.8 p -76.2 154.78 35.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.721 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -154.98 145.85 22.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLY . 60.5 t0 -88.69 110.01 20.61 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.546 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -70.36 -18.84 63.07 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.566 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.72 -39.39 91.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.124 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.19 -6.82 9.9 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.341 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 68.95 32.96 73.86 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -148.83 136.27 20.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.828 0.347 . . . . 0.0 110.651 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.4 p -72.67 159.73 33.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.484 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -94.54 -4.32 48.18 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.671 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.69 40.98 3.24 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CZ ' ' OG ' ' A' ' 43' ' ' SER . 10.3 p90 -142.32 148.92 38.77 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.719 0.295 . . . . 0.0 110.571 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.59 166.73 31.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.632 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -113.21 135.92 53.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.791 0.329 . . . . 0.0 110.623 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.35 133.51 50.93 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.193 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -114.75 110.05 19.13 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.697 0.284 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.535 ' CD2' ' OG ' ' A' ' 64' ' ' SER . 70.6 t80 -110.66 170.82 7.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.882 0.372 . . . . 0.0 110.084 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 39.2 tp10 -71.44 -56.68 5.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -109.82 122.56 47.79 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.944 0.402 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.9 pm0 -58.4 -14.93 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.275 0.56 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 mtm-85 -69.74 -26.0 64.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.535 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 92.7 p -67.61 -19.14 65.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.052 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 76.6 p -60.36 -27.11 67.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.404 HG23 HD11 ' A' ' 66' ' ' ILE . 97.0 mt -60.0 -39.01 79.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.373 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.404 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 13.1 mt -58.62 -63.45 1.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.499 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.0 89.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.986 0.422 . . . . 0.0 112.0 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 65' ' ' THR . 40.6 t -53.97 -53.67 26.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 59.8 p30 -87.61 -11.27 49.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.672 ' ND2' ' CZ ' ' A' ' 34' ' ' TYR . 17.6 t30 -94.05 -34.54 12.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.609 ' CD2' HD21 ' A' ' 71' ' ' ASN . 3.8 mm? -97.92 -27.92 14.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.678 0.275 . . . . 0.0 111.413 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -63.54 129.85 41.9 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.783 0.325 . . . . 0.0 110.534 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.34 3.17 67.42 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' B' ' 325' ' ' SER . 37.9 t80 -106.6 125.33 50.87 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 110.09 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -87.85 131.53 34.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.364 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.7 mt -131.64 126.34 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 120.797 0.332 . . . . 0.0 110.804 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.19 24.78 70.69 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.424 ' O ' ' CZ ' ' A' ' 80' ' ' ARG . . . 89.11 -10.53 72.63 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.424 ' CZ ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -125.66 146.48 49.71 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.423 -179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.58 126.68 45.61 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.663 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.04 150.97 41.93 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.899 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -110.85 123.91 51.04 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.48 113.32 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -131.2 143.94 50.97 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.844 0.354 . . . . 0.0 110.537 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -74.52 144.3 44.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.373 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 p -117.64 176.65 5.08 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.259 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 70.3 t80 -159.69 31.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.62 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -96.57 133.32 41.21 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.344 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -82.28 118.07 70.65 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.773 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -49.59 131.18 27.8 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 123.037 2.491 . . . . 0.0 112.145 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' A' ' 93' ' ' ARG . 11.5 ptmm? -149.71 -47.88 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.429 ' N ' ' CG ' ' A' ' 92' ' ' LYS . 77.1 ttt-85 57.14 98.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.422 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 96' ' ' GLN . 70.3 m -65.34 -177.58 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.683 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.0 mt 57.92 2.51 0.18 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.572 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' A' ' 94' ' ' SER . 56.5 tt0 -89.77 -55.08 3.78 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.249 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -101.93 43.29 1.08 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.362 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.19 -35.69 79.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.3 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -53.6 -48.42 69.28 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.003 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.84 -39.66 95.05 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.99 85.65 7.13 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.546 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.11 -21.99 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.572 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -98.83 14.84 27.45 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.692 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 55.76 69.43 0.74 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.096 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -93.17 -55.27 3.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.503 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' A' ' 106' ' ' LEU . 10.3 mp -83.24 -16.72 45.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.448 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.17 139.91 58.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -105.51 20.98 17.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.634 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.42 -26.74 68.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.479 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 43.4 pt -72.75 -7.86 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.658 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.4 129.73 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.3 m -138.91 1.47 2.07 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.87 0.367 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -79.2 154.06 29.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -83.2 115.85 22.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -62.1 -25.36 67.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.34 87.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.02 131.01 44.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.467 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.482 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 89.1 t80 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -64.18 153.17 38.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.465 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -86.99 133.71 38.55 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.02 95.23 0.97 Allowed 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 123.126 2.551 . . . . 0.0 112.347 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . 45.8 85.94 0.15 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.787 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.68 137.0 66.54 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.763 2.309 . . . . 0.0 112.106 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -104.66 136.79 43.52 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 56.0 p30 -148.05 155.49 41.55 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.382 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -70.83 -44.99 65.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -142.87 154.3 44.0 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.51 25.94 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 96.0 mt -97.04 117.55 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.4 mmt -92.96 146.83 32.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.9 138.84 41.68 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.775 2.317 . . . . 0.0 112.186 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -88.76 176.37 44.34 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 93.8 p -64.36 -23.77 67.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.69 -18.08 63.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.618 ' C ' ' H ' ' B' ' 321' ' ' GLY . 17.4 t90 -59.83 -20.59 57.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 30.7 t0 64.24 -27.61 0.09 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.422 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 110.02 10.59 22.27 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.542 ' C ' ' HE1' ' B' ' 319' ' ' TRP . 53.6 t -109.2 117.1 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-O 120.715 0.293 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -112.9 147.2 37.54 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.758 0.313 . . . . 0.0 110.736 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -98.45 127.76 44.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.106 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 325' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 75' ' ' PHE . 36.6 t -82.28 144.19 30.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.597 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.491 HD21 ' C ' ' A' ' 71' ' ' ASN . 36.3 t30 -147.78 -96.06 0.08 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.079 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -58.27 117.11 9.55 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -68.98 -22.82 64.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.746 0.308 . . . . 0.0 110.52 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.55 -21.0 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.632 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -51.81 -18.78 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.629 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -54.01 -27.97 35.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -62.24 -50.62 71.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.393 . . . . 0.0 110.271 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -65.37 -38.13 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.055 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.8 95.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.77 -43.45 98.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.027 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . 0.432 ' O ' ' CG2' ' B' ' 339' ' ' ILE . 20.0 mm100 -61.97 -42.26 98.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -70.88 -42.47 69.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -73.44 -13.17 61.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . 0.432 ' CG2' ' O ' ' B' ' 336' ' ' GLN . 20.4 tt -38.16 140.36 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.994 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -144.37 -146.23 0.18 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.497 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -112.75 130.39 56.09 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 110.394 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.514 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.411 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.02 138.97 58.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.325 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.7 -38.59 87.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.639 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.13 -39.74 96.24 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -91.29 108.31 19.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.6 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -79.8 -34.17 39.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.595 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -134.56 155.5 50.31 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HZ2' ' CB ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -46.91 163.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 10' ' ' ASN . 54.7 p-10 -140.07 -2.98 1.43 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.677 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.448 ' O ' ' O ' ' A' ' 9' ' ' ASP . 28.1 m120 58.28 126.15 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.12 149.92 38.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.582 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -122.08 148.96 44.22 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.918 0.389 . . . . 0.0 110.671 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -99.91 114.41 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -76.25 120.97 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.623 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.406 HG21 HD12 ' A' ' 15' ' ' ILE . 82.1 mt -116.82 120.95 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.167 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.77 -179.58 18.97 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.436 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 22.8 t-20 63.91 22.69 13.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.503 ' CD2' ' H ' ' A' ' 18' ' ' LEU . 2.0 pt? -102.19 151.26 22.41 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.124 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -73.95 135.38 43.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -60.79 -18.21 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.626 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -62.93 -31.98 73.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.84 123.66 18.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.08 0.467 . . . . 0.0 110.328 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -88.69 171.08 10.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.577 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.94 -40.2 94.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.183 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.23 98.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -60.76 -46.41 90.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.712 0.292 . . . . 0.0 110.618 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.78 -43.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.246 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.4 -43.18 83.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.161 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.577 ' CG2' HH21 ' B' ' 324' ' ' ARG . 86.3 m -62.94 -39.92 96.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.407 . . . . 0.0 110.43 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.3 t -64.26 -47.93 87.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.489 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -82.93 -13.63 55.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.889 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 29' ' ' THR . 85.4 p -45.03 -59.33 2.65 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 12.3 pt-20 -72.85 -27.36 61.88 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.263 0.554 . . . . 0.0 112.143 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -92.89 35.38 1.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.266 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.53 69.93 0.93 Allowed Glycine 0 C--N 1.341 0.827 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.543 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 8.3 p -55.84 120.61 34.42 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.784 -177.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -75.91 157.82 38.81 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 123.209 2.606 . . . . 0.0 112.569 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -93.67 -14.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.225 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 64.0 t0 -163.28 136.71 5.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.678 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 65.6 t -126.48 130.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.486 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.5 mt -108.34 126.28 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.778 0.323 . . . . 0.0 110.998 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.78 142.95 37.02 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.232 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -59.09 154.91 14.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.427 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -105.61 167.94 9.43 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.783 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -56.77 152.08 13.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.593 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -57.97 -10.33 1.76 Allowed 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.709 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -61.33 -36.74 80.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.186 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.8 p -81.93 -13.42 57.54 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.24 6.45 36.44 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -113.25 131.76 55.79 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.84 0.352 . . . . 0.0 110.742 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.6 p -71.79 156.76 38.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 44.5 mt-30 -101.2 160.78 14.11 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.681 0.277 . . . . 0.0 110.975 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.36 23.14 9.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 5.2 m-85 -144.09 153.99 42.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.727 0.299 . . . . 0.0 110.59 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.65 164.02 39.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.672 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.469 ' CD2' ' CD2' ' A' ' 89' ' ' TYR . 84.7 m-85 -126.75 141.23 51.89 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.84 140.27 47.77 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.945 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -130.38 109.39 10.7 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.243 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -115.12 158.2 22.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 120.811 0.338 . . . . 0.0 110.244 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.65 -43.56 93.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.454 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -103.16 143.6 32.4 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' O ' ' OG1' ' A' ' 65' ' ' THR . 55.6 mt-30 -88.25 -12.83 42.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.086 0.47 . . . . 0.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -68.06 -30.59 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.794 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.7 p -62.5 -22.89 66.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.972 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 62.8 p -61.33 -37.52 83.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.4 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.09 -45.12 91.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.001 0.429 . . . . 0.0 110.577 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.466 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 17.6 mt -64.42 -53.42 48.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.752 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.26 -37.58 67.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.805 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 52.2 t -60.95 -69.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.214 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 57.0 t0 -59.27 -33.1 70.65 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 23.6 m120 -67.77 -39.83 84.09 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.4 mt -107.33 -11.16 15.61 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 34.9 t30 -70.37 121.24 17.32 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 122.137 -0.352 . . . . 0.0 110.588 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.01 3.69 87.55 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -93.92 119.02 32.27 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -67.96 121.95 17.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.831 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.402 ' O ' ' CG2' ' A' ' 77' ' ' ILE . 15.5 tt -141.53 128.31 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.464 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.59 16.38 77.68 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.57 -8.02 79.2 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -136.98 159.58 41.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.609 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.94 129.02 45.24 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.76 155.0 22.04 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.24 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -111.48 122.41 47.77 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.425 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.3 mm -106.74 118.33 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.058 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -142.07 144.76 33.73 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.802 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -75.67 144.17 41.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.815 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.5 t -152.95 144.23 23.21 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.777 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -88.41 16.53 6.31 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.349 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.469 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 59.8 t80 -48.59 119.39 3.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.474 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -89.01 147.92 39.83 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.04 136.97 33.56 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.817 2.345 . . . . 0.0 111.977 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -105.98 125.13 50.63 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.887 0.375 . . . . 0.0 110.775 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.624 ' NH1' ' NE2' ' A' ' 96' ' ' GLN . 76.0 ttt-85 -164.53 119.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 m -157.05 -33.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.596 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.2 mp -70.5 73.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.174 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.624 ' NE2' ' NH1' ' A' ' 93' ' ' ARG . 76.5 mt-30 -97.22 -68.19 0.81 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.744 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -108.44 9.59 27.57 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.638 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -58.03 -38.23 75.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -48.15 -21.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 101' ' ' ALA . 19.3 pt-20 -58.47 -41.89 86.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.522 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 100' ' ' GLU . . . -63.81 -36.42 83.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.53 -44.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.774 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -121.77 72.79 1.04 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.664 0.268 . . . . 0.0 111.479 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -175.95 -128.96 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.937 0.399 . . . . 0.0 110.275 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 107' ' ' ASP . 99.0 mt-10 42.99 -157.14 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.918 0.389 . . . . 0.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.7 mp -54.76 90.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.324 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' GLU . 57.3 t0 -156.74 46.28 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -136.94 149.18 47.41 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.646 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.35 38.1 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 36.3 pt -95.65 13.48 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.673 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.8 p -130.03 140.1 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.893 0.378 . . . . 0.0 110.572 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.8 m 55.29 35.31 24.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.479 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -82.06 129.55 34.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.548 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -147.88 103.39 3.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.682 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -148.46 103.2 3.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.702 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -162.42 94.79 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.463 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 45.81 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.522 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -78.66 168.6 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.522 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.01 147.27 94.66 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.31 -76.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.743 2.295 . . . . 0.0 112.162 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -166.05 160.29 12.84 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.438 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.59 146.19 72.81 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.665 2.243 . . . . 0.0 112.013 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 57.12 -173.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.625 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 14.7 p30 -101.37 131.94 47.19 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.757 0.313 . . . . 0.0 110.73 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -88.91 -51.34 5.68 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.981 0.419 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -68.31 108.64 3.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.766 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.68 79.73 6.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.264 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 31.0 mm -60.99 126.95 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.52 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 314' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.8 OUTLIER -74.81 149.69 85.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.171 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.13 155.78 66.98 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.902 2.401 . . . . 0.0 112.071 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -116.01 161.55 12.88 Favored Glycine 0 N--CA 1.47 0.929 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 47.9 t -61.99 -42.16 98.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.003 0.43 . . . . 0.0 111.032 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -62.28 -4.56 1.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.572 ' C ' ' H ' ' B' ' 321' ' ' GLY . 17.7 t90 -68.19 -5.95 20.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.284 0.564 . . . . 0.0 110.99 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 54.12 2.08 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.004 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 69.28 19.73 74.47 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.545 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 84.0 t -80.54 132.9 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.737 0.303 . . . . 0.0 110.595 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -69.04 129.65 40.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.839 0.352 . . . . 0.0 111.016 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . 0.577 HH21 ' CG2' ' A' ' 29' ' ' THR . 37.2 mmt180 -127.06 109.45 11.89 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 32.5 t -83.99 135.83 34.29 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.709 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.505 ' N ' ' OD1' ' B' ' 326' ' ' ASN . 1.6 p-10 -112.39 -35.58 5.53 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.406 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -172.46 160.8 32.19 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -69.92 -23.98 63.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -63.32 -20.32 65.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.0 -28.94 59.43 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.817 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -54.48 -28.81 47.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.395 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -60.85 -45.75 93.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.144 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -63.93 -39.05 93.27 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.253 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.57 93.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.67 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -62.84 -47.92 81.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.616 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -62.47 -42.93 99.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -65.13 -37.59 87.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.926 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -59.33 -42.42 91.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.738 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 341' ' ' GLU . 40.3 pt -90.83 -21.69 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.893 0.378 . . . . 0.0 110.669 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 46.79 -90.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.359 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' B' ' 339' ' ' ILE . 45.0 mt-10 -131.77 140.56 49.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.661 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 62.3 pttt . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.694 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.17 119.48 6.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.557 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -129.35 64.97 1.47 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.602 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.55 -21.53 64.88 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -62.03 -35.28 78.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.6 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.04 -44.79 94.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.577 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -64.48 -45.47 87.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASP . 64.5 tttm -58.0 -36.09 72.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' LYS . 35.5 t70 -38.27 137.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.525 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.512 HD22 ' HG3' ' A' ' 58' ' ' LYS . 9.2 p-10 -141.13 173.68 11.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.586 ' N ' HE21 ' A' ' 62' ' ' GLN . . . -94.57 153.73 17.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.641 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.518 ' C ' ' OG1' ' A' ' 87' ' ' THR . 59.7 m-85 -121.74 153.17 38.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.613 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.3 pt -129.79 147.61 33.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.525 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -96.05 129.61 43.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.8 mt -122.12 119.22 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.414 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.29 -177.65 21.11 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 32.5 t-20 65.83 23.23 11.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.743 0.306 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' CD2' ' H ' ' A' ' 18' ' ' LEU . 1.8 pt? -105.23 159.88 15.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -69.92 128.87 37.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.47 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -63.53 -19.38 64.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.43 -29.52 70.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 8.2 mp -70.96 123.38 21.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.8 p -91.19 -174.34 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.479 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -60.36 -39.73 88.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.18 98.47 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.86 -41.42 99.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.618 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.23 -41.56 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.531 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.554 ' O ' ' OG ' ' A' ' 32' ' ' SER . 77.3 mt -58.6 -48.29 81.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.613 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m -62.11 -40.12 94.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.674 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.82 -50.88 77.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -87.54 -14.17 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 110.855 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.554 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 2.1 m -46.25 -60.22 2.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.072 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' OE1' ' NE1' ' B' ' 319' ' ' TRP . 11.7 pt-20 -65.87 -12.24 52.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.75 -177.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.548 ' CE1' ' OD1' ' A' ' 71' ' ' ASN . 55.3 m-85 -112.5 34.57 4.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.76 71.42 0.98 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 6.9 p -55.47 120.79 33.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.619 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -76.33 157.93 37.1 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 123.021 2.481 . . . . 0.0 112.216 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.7 m -92.24 -14.79 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.463 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -158.94 146.54 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.29 128.9 52.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -93.48 111.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -102.74 100.58 10.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.431 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 m -85.12 145.61 27.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -133.54 154.29 50.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 49' ' ' GLY . 67.8 t0 -73.63 120.51 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.623 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.27 -20.75 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.89 -43.44 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.552 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.31 -39.19 1.04 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.571 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 83.33 1.02 90.38 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -106.12 20.63 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.6 p -145.67 156.41 43.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.599 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 7.2 pt20 -162.09 -104.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.522 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.414 ' H ' ' HG3' ' A' ' 52' ' ' GLN . . . 92.17 8.69 62.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 9.7 p90 -148.24 134.71 19.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.73 162.56 38.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.554 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -116.5 146.01 42.89 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tp -107.96 140.59 40.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.614 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.512 ' HG3' HD22 ' A' ' 10' ' ' ASN . 16.5 ttpp -127.19 102.24 6.85 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.547 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 60' ' ' GLU . 5.6 t80 -121.61 145.17 48.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.603 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.544 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 51.6 tp10 -57.93 -49.63 76.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.731 -178.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -83.94 126.3 32.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.586 HE21 ' N ' ' A' ' 11' ' ' ALA . 92.3 mt-30 -85.84 -38.35 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -62.32 -28.28 69.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -64.62 -36.01 82.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 70.8 p -56.61 -22.97 37.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.549 -178.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.69 -42.24 84.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 5.7 mp -63.03 -46.95 85.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.624 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.61 -38.32 66.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.539 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 75.2 t -65.08 -69.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.727 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 51.9 t0 -59.51 -16.21 23.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.847 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.548 ' OD1' ' CE1' ' A' ' 34' ' ' TYR . 6.2 m120 -89.33 -50.51 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.019 -177.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.69 20.05 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.842 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 7.6 t-20 -81.82 106.8 14.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.488 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.25 -0.95 86.82 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.62 ' CZ ' ' O ' ' B' ' 325' ' ' SER . 48.9 t80 -66.72 128.5 36.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.366 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -81.39 128.84 34.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.6 mt -143.5 109.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.26 16.3 76.63 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.85 -4.34 63.22 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -123.18 148.25 45.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.785 0.326 . . . . 0.0 110.659 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -96.56 135.65 38.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.17 147.12 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.593 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -120.03 101.2 7.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.481 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mm -98.66 136.96 27.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.399 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -156.84 157.29 34.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.54 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -81.87 151.63 27.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.518 ' OG1' ' C ' ' A' ' 12' ' ' TYR . 56.8 p -128.9 -51.27 1.23 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.687 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 55.74 25.05 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.482 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 89' ' ' TYR . 3.1 p90 -85.29 132.59 34.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.634 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -73.72 126.39 89.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.667 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.33 136.97 19.2 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 123.08 2.52 . . . . 0.0 111.977 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 54.79 -104.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.15 147.71 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.1 p -142.2 126.46 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.634 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 10.2 mp -98.67 78.32 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.441 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -58.56 -34.53 71.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.7 -39.22 80.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.674 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -95.55 158.05 15.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.647 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.688 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -155.5 -88.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -96.61 3.45 52.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.22 44.82 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.597 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.3 m -147.73 -27.17 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.55 44.45 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 55.31 26.3 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.604 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 105' ' ' GLU . 35.2 mp0 40.21 -147.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tp -88.13 41.18 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.562 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -84.97 66.81 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -114.3 9.01 16.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -89.21 32.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 37.3 pt -55.15 -20.19 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 28.7 m -69.75 -27.52 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.563 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 95.9 p -67.95 -27.17 66.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.668 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -94.82 -41.43 9.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.521 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -63.54 116.71 5.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.3 m120 53.61 39.39 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.559 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.55 94.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.09 146.86 45.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.525 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.509 -179.822 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 59.0 p-10 -80.59 167.56 19.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -67.37 146.23 98.7 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.726 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.57 -179.83 4.87 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.986 2.458 . . . . 0.0 111.986 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -67.14 159.46 76.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.9 154.89 73.06 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.946 2.431 . . . . 0.0 112.024 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -49.79 -59.62 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -73.55 129.32 37.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.452 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . 0.471 ' C ' ' CD1' ' B' ' 311' ' ' PHE . 27.8 mmt180 -58.33 -47.27 84.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.52 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.481 ' CE1' ' HG ' ' A' ' 67' ' ' LEU . 75.3 m-85 -154.02 165.37 36.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.64 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -93.28 4.36 54.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 85.6 mt -74.58 117.93 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.595 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 314' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.0 OUTLIER -95.55 155.1 39.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.82 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -55.1 141.9 78.61 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 123.056 2.504 . . . . 0.0 111.999 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -96.16 162.56 22.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 94.8 p -62.77 -25.19 68.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 0.0 110.661 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -68.38 -14.93 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.653 ' C ' ' H ' ' B' ' 321' ' ' GLY . 18.9 t90 -63.36 -11.13 20.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.627 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 46.2 t0 58.82 -5.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.664 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.653 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 78.55 13.26 83.39 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.536 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 43.8 t -70.96 127.57 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.476 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -69.12 132.33 46.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.667 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -135.95 115.77 13.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.441 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 325' ' ' SER . . . . . 0.62 ' O ' ' CZ ' ' A' ' 75' ' ' PHE . 27.7 t -91.93 149.78 21.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.656 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' B' ' 327' ' ' GLY . 2.0 p30 -137.14 -107.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.533 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' B' ' 326' ' ' ASN . . . -73.38 140.85 28.98 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -66.77 -32.82 74.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.568 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -57.56 -25.45 59.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -53.58 -28.3 31.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.59 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -32.73 55.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.586 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -61.17 -46.98 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.648 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.39 -38.55 91.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.471 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.05 91.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -63.58 -45.2 91.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -63.61 -40.01 95.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -60.26 -41.95 94.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.66 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.05 -41.93 98.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . 0.429 HD12 HG21 ' B' ' 339' ' ' ILE . 73.9 mt -88.23 -94.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -172.95 171.94 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -76.62 83.64 3.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 62.9 tttp . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.499 -179.844 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.28 69.03 0.76 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.872 0.368 . . . . 0.0 110.737 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.5 ptm -150.78 159.09 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.578 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.23 -161.36 31.4 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 48.2 p-10 -64.28 157.47 25.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.471 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -172.59 -7.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.618 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -83.49 143.98 29.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -93.95 141.68 28.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -111.55 -46.71 3.24 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.825 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -91.88 137.78 32.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.948 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.14 136.91 34.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -131.8 160.35 35.84 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.559 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 pt -135.42 143.98 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.249 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.489 ' N ' ' OG1' ' A' ' 87' ' ' THR . 66.6 t80 -93.91 120.91 34.8 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -112.6 118.88 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.96 -178.46 15.42 Favored Glycine 0 N--CA 1.468 0.795 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 53.67 41.51 32.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.73 0.3 . . . . 0.0 110.422 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.46 156.97 16.51 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -73.89 146.97 43.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -65.58 -40.62 92.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.558 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.89 -30.16 71.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.675 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.88 113.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.45 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.9 p -95.93 -179.52 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.435 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -60.7 -44.15 96.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.273 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.28 -42.23 99.72 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.0 -42.64 98.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 0.0 110.697 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.72 -43.48 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.503 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 32' ' ' SER . 14.1 mt -58.19 -46.12 86.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.4 m -61.61 -40.23 94.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.057 0.456 . . . . 0.0 111.294 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.89 -50.02 81.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -90.1 -13.32 36.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.107 0.479 . . . . 0.0 111.386 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.2 t -44.55 -56.73 4.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.808 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 16.3 tm-20 -63.27 -26.44 68.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.0 111.198 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.453 ' OH ' ' O ' ' B' ' 325' ' ' SER . 66.5 m-85 -94.52 33.93 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.274 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.97 71.97 1.11 Allowed Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.172 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 p -55.34 129.82 68.94 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.964 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.46 162.48 41.31 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 123.407 2.738 . . . . 0.0 111.638 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -90.33 -14.42 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.516 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -167.33 149.5 5.94 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.5 t -131.5 128.73 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.167 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.406 HG23 HD11 ' A' ' 41' ' ' ILE . 94.6 mt -103.5 113.84 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.977 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 mt -113.05 101.33 9.36 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.035 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.6 m -86.27 148.58 25.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.722 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.1 ptt85 -154.22 146.49 23.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.47 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 49' ' ' GLY . 71.4 m-20 -88.39 129.01 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -72.77 -19.7 61.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.701 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.09 -39.62 95.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.58 -23.64 5.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.879 0.371 . . . . 0.0 110.68 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 93.33 -11.06 72.4 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -166.92 137.53 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.585 ' C ' ' H ' ' A' ' 53' ' ' GLY . 42.9 t -149.49 112.07 4.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.635 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 68.93 -35.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.74 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' A' ' 51' ' ' SER . . . 76.77 40.2 26.94 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -82.62 154.03 25.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.827 0.346 . . . . 0.0 110.446 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.03 156.79 36.56 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -122.05 124.72 44.63 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.883 0.373 . . . . 0.0 110.19 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.99 133.68 45.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.621 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -96.19 103.53 15.43 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.839 0.352 . . . . 0.0 110.347 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.439 ' OH ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -92.93 131.73 37.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.434 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.16 -41.45 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.455 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -109.24 130.51 55.49 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -75.11 -27.06 59.71 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.729 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -78.52 -33.13 48.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.727 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.1 t -61.99 -38.17 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.634 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.7 p -47.5 -29.5 2.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.59 -41.81 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.715 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 83.1 mt -58.59 -50.39 73.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.142 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.56 93.1 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 54.0 t -49.9 -70.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.304 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.96 -38.25 81.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 111.947 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.609 ' O ' ' ND2' ' B' ' 326' ' ' ASN . 98.6 m-20 -65.21 -43.79 90.42 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 4.1 mm? -95.65 -22.22 17.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.852 0.358 . . . . 0.0 111.564 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 19.8 t-20 -62.65 117.69 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 0.0 110.654 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.77 -9.71 76.25 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.525 ' CE1' ' CB ' ' B' ' 325' ' ' SER . 66.1 t80 -77.37 125.63 29.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.594 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -79.21 123.8 27.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.838 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.3 tt -138.03 130.16 39.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.439 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.89 11.95 70.38 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.12 -20.01 52.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -118.5 140.62 49.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.938 0.399 . . . . 0.0 110.456 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.21 131.03 35.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.07 156.19 17.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.384 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -123.86 122.02 36.89 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.96 126.19 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.903 0.382 . . . . 0.0 110.522 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -132.17 158.2 42.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -67.91 137.73 55.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.568 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.489 ' OG1' ' N ' ' A' ' 14' ' ' TYR . 21.7 m -133.4 129.97 38.09 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.038 0.447 . . . . 0.0 110.231 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -100.15 31.92 3.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -58.09 127.64 33.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.469 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -98.76 119.3 61.48 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.48 139.45 28.58 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 123.265 2.644 . . . . 0.0 112.117 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.4 -39.44 93.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.686 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -64.95 141.1 58.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.614 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.7 t -121.97 -41.24 2.46 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.435 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.1 tp -90.35 117.74 29.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.448 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -137.61 42.01 2.34 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.517 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' A' ' 99' ' ' TYR . 13.7 mptt 54.65 38.91 30.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.202 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 98' ' ' TYR . 23.2 p90 -76.72 26.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.49 ' H ' ' C ' ' A' ' 97' ' ' LYS . 89.9 t80 -55.37 -36.57 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.563 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.72 -37.76 79.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.53 98.01 11.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.624 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.0 m -142.66 -37.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.565 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -170.46 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.96 -38.63 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.79 -46.08 86.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.89 -45.04 94.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.466 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -79.61 128.84 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 50.1 ptt85 -104.88 -171.89 2.0 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.652 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 109' ' ' ASP . 53.2 p-10 -70.5 141.9 51.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.576 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -145.13 -178.01 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.63 -179.711 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 28.3 m -130.65 153.97 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.631 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.2 t -96.01 34.53 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.553 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -61.78 -42.13 98.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.484 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 58.4 t30 57.12 170.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.6 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 117' ' ' GLU . 66.5 t30 -74.68 122.63 23.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.622 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.1 91.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.474 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 99.4 mt-10 -86.2 139.24 31.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.478 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.532 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.0 144.03 57.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -84.88 146.26 45.62 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.42 -55.95 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.914 2.41 . . . . 0.0 112.167 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . 178.5 84.59 0.16 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.499 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -55.1 136.18 72.03 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.9 2.4 . . . . 0.0 112.141 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . 0.431 ' O ' ' NH1' ' B' ' 310' ' ' ARG . 43.7 mt-10 -62.09 -43.29 99.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.639 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . 0.492 ' ND2' ' OE2' ' B' ' 329' ' ' GLU . 34.7 m120 -96.72 136.31 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' B' ' 308' ' ' GLU . 1.9 mpp_? -83.17 -6.45 59.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.511 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 12.9 m-85 -109.33 -171.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.521 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -153.9 45.68 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.513 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . 0.402 HG23 HD13 ' B' ' 313' ' ' ILE . 13.0 mm -76.47 122.03 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.259 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.1 mtm -75.85 153.67 85.01 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.329 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.07 141.07 69.69 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.989 2.459 . . . . 0.0 112.181 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -84.34 149.1 24.61 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 74.0 m -64.45 -38.84 92.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.937 0.398 . . . . 0.0 110.624 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.53 2.01 8.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.593 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.8 t90 -60.69 -14.83 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.138 0.494 . . . . 0.0 111.123 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 53.97 2.13 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.593 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 72.01 16.55 76.67 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.523 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 72.6 t -74.24 141.25 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 110.658 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -68.13 145.41 54.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . 0.54 ' NH1' ' O ' ' B' ' 327' ' ' GLY . 0.1 OUTLIER -139.08 151.71 46.94 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.565 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 325' ' ' SER . . . . . 0.525 ' CB ' ' CE1' ' A' ' 75' ' ' PHE . 97.4 p -83.75 161.81 20.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.714 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.609 ' ND2' ' O ' ' A' ' 71' ' ' ASN . 73.0 m-80 54.86 39.09 31.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.711 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . 0.54 ' O ' ' NH1' ' B' ' 324' ' ' ARG . . . -154.97 5.12 0.25 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.86 -43.29 99.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.615 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.492 ' OE2' ' ND2' ' B' ' 309' ' ' ASN . 11.8 pt-20 -58.9 -20.97 56.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.8 -28.49 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.589 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -52.34 -36.51 53.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -62.78 -44.67 95.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -64.76 -35.68 81.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -58.75 -47.07 85.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -67.23 -37.37 83.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.287 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.69 -42.71 97.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.559 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -68.27 -36.06 78.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.936 0.398 . . . . 0.0 110.748 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.27 -44.12 92.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 39.6 pt -76.79 -167.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.623 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 55.39 37.81 29.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -64.23 -40.54 96.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.444 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 60.9 pttt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.759 -179.871 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.26 29.64 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.7 mtp 52.1 -98.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.418 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.88 141.4 41.74 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -66.05 148.41 51.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.801 0.334 . . . . 0.0 110.705 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -131.71 146.35 52.12 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.916 0.389 . . . . 0.0 110.413 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -98.24 147.25 24.81 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.555 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -140.53 152.86 45.89 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 17.5 p-10 -74.97 -25.27 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.161 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 55.48 41.4 30.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.398 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.19 126.91 35.39 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.969 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -134.28 140.84 46.7 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.682 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.87 119.32 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -82.75 122.48 28.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.202 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -109.77 126.48 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.491 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.22 172.17 22.52 Favored Glycine 0 N--CA 1.468 0.787 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 55.27 37.86 29.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.8 0.333 . . . . 0.0 110.54 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -94.72 145.12 25.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -81.12 138.72 35.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -59.23 -21.3 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.654 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -66.33 -21.78 66.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -85.08 124.59 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.368 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -106.89 -171.81 1.96 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.97 -42.15 99.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.489 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.0 -41.15 98.7 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -62.25 -42.36 99.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.95 -41.59 90.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.388 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.34 -43.98 88.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.447 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.6 m -62.07 -42.75 99.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.86 -50.76 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.022 0.439 . . . . 0.0 111.64 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.527 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 30.0 m-85 -77.1 -18.63 57.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.213 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' B' ' 319' ' ' TRP . 8.8 t -64.77 -17.26 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.133 0.492 . . . . 0.0 111.975 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.85 -35.7 79.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.061 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.527 ' OH ' ' CD2' ' A' ' 31' ' ' PHE . 35.2 p90 -123.74 41.3 3.52 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.2 81.96 1.39 Allowed Glycine 0 N--CA 1.477 1.414 0 C-N-CA 119.626 -1.273 . . . . 0.0 113.075 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.473 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 15.0 p -55.63 133.37 71.7 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-O 121.006 0.431 . . . . 0.0 110.517 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.8 149.13 85.17 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 123.068 2.512 . . . . 0.0 112.302 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.7 p -92.8 -25.61 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.896 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 66.2 t0 -153.6 130.78 11.14 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 21.0 t -124.22 129.33 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.1 mt -105.38 121.17 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 120.925 0.393 . . . . 0.0 110.944 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 4.1 mm? -100.34 108.76 20.88 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.9 t -74.56 113.63 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -132.53 143.51 49.78 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.872 0.367 . . . . 0.0 110.455 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 49' ' ' GLY . 98.0 m-20 -79.83 130.28 35.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -68.48 -20.77 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -62.96 -39.8 95.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.602 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.51 -41.32 1.08 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.813 0.34 . . . . 0.0 110.713 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 73.48 31.14 61.28 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -132.99 140.63 47.86 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.798 0.333 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 t 66.46 109.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' HG3' ' H ' ' A' ' 53' ' ' GLY . 1.1 pt20 -90.0 -65.78 0.99 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.974 0.416 . . . . 0.0 110.58 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.441 ' H ' ' HG3' ' A' ' 52' ' ' GLN . . . 92.33 -15.09 63.03 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -167.32 160.79 13.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.744 0.307 . . . . 0.0 110.695 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.64 165.55 35.19 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.798 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -115.73 142.6 46.53 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mt -118.66 131.41 56.16 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.501 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -131.06 113.3 13.76 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.19 0.306 . . . . 0.0 110.532 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 16.5 t80 -115.94 146.74 41.83 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.313 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -53.46 -19.03 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -120.55 121.93 39.47 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.857 0.36 . . . . 0.0 110.727 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' OG1' ' A' ' 65' ' ' THR . 29.3 pt20 -77.79 -21.08 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.783 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -62.69 -29.25 70.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -59.56 -31.01 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.574 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 70.4 p -60.45 -36.19 77.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.525 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.08 -48.43 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.675 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.09 -38.01 89.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.004 0.431 . . . . 0.0 110.574 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.44 65.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.324 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.53 -19.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.043 0.449 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 52.8 t0 -71.54 -32.59 68.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -116.02 -40.0 3.37 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.94 -26.1 56.56 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -67.74 121.12 15.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.934 0.397 . . . . 0.0 110.461 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.35 11.6 84.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -104.46 133.0 50.07 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.775 0.322 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -79.82 112.73 17.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.62 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.52 ' O ' ' C ' ' A' ' 78' ' ' GLY . 1.2 tp -96.47 118.64 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.538 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 77' ' ' ILE . . . 24.01 57.03 0.05 OUTLIER Glycine 0 N--CA 1.474 1.228 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.34 -113.94 1.23 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -91.54 171.12 9.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.817 0.342 . . . . 0.0 110.974 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.11 138.6 34.74 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.027 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 154.14 20.25 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -99.51 117.74 34.56 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.9 mm -111.69 126.14 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -157.94 149.79 21.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.685 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -83.51 151.0 25.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.264 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 t -146.08 157.04 43.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -104.19 11.82 34.55 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.242 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.432 ' CZ ' ' O ' ' A' ' 90' ' ' ARG . 32.7 t80 -48.27 132.51 16.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.432 ' O ' ' CZ ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -79.9 141.25 54.85 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.439 ' O ' ' O ' ' A' ' 92' ' ' LYS . 68.2 Cg_endo -76.43 164.77 30.25 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 123.06 2.507 . . . . 0.0 112.052 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 91' ' ' PRO . 88.9 tttt 58.07 122.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 61.41 151.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 96' ' ' GLN . 55.2 m -109.23 -166.83 1.14 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.853 0.359 . . . . 0.0 110.399 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.28 38.47 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.543 ' H ' ' C ' ' A' ' 94' ' ' SER . 97.3 mt-30 -62.63 -39.8 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -142.97 82.66 1.77 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.373 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -83.17 54.02 2.65 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.577 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -49.86 -30.52 10.12 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.978 0.418 . . . . 0.0 110.844 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.22 -38.57 80.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.605 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.38 -23.42 30.11 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.976 0.417 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.554 ' O ' ' O ' ' A' ' 103' ' ' LYS . 69.1 t -62.88 -39.01 83.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.648 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.554 ' O ' ' O ' ' A' ' 102' ' ' VAL . 18.6 ptmt -48.56 -165.58 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.065 0.459 . . . . 0.0 111.292 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -41.96 -20.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.866 0.365 . . . . 0.0 111.086 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 103' ' ' LYS . 59.2 mm-40 -56.39 -43.78 79.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.697 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.73 -29.38 6.44 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 102' ' ' VAL . 95.8 m-20 -62.05 -21.29 64.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.615 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.34 -20.33 42.53 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.532 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 110' ' ' ILE . 37.1 p-10 -59.74 -39.47 84.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.963 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.481 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 29.1 pt -91.86 21.99 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.785 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 112' ' ' SER . 59.4 t -127.37 -35.33 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.713 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.455 ' O ' ' O ' ' A' ' 111' ' ' VAL . 57.9 p -46.47 -100.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 113' ' ' LYS . 3.7 mptp? 55.2 81.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.17 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.7 m120 59.09 -122.22 1.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.404 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.416 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 23.7 m120 -59.13 -110.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.332 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -130.74 102.14 5.97 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.368 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 51.16 96.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.416 ' NZ ' ' OD1' ' A' ' 115' ' ' ASN . 34.8 ttmt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.579 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.1 138.94 58.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.489 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . 0.417 ' HD3' ' H ' ' B' ' 304' ' ' LYS . 0.7 OUTLIER -67.71 149.57 98.22 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -179.694 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.42 -39.82 63.4 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 C-N-CA 122.835 2.357 . . . . 0.0 112.264 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . 0.495 ' N ' ' HD2' ' B' ' 307' ' ' PRO . . . -175.31 -61.12 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.573 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' B' ' 306' ' ' ALA . 16.1 Cg_endo -56.54 165.15 4.8 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 123.052 2.502 . . . . 0.0 111.912 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 65.24 103.91 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' B' ' 309' ' ' ASN . 10.7 p-10 -72.07 146.29 47.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.692 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -86.87 -46.55 9.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.71 106.38 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.731 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -79.48 89.67 5.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 65.1 mt -90.61 133.08 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 15.2 mmt -61.67 144.01 93.31 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.44 157.4 56.55 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.939 2.426 . . . . 0.0 112.188 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -93.99 153.47 21.17 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 71.0 m -62.07 -38.17 87.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 0.0 110.782 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -58.55 -13.64 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.576 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.7 t90 -61.66 -16.4 48.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.228 0.537 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 55.29 1.67 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 70.48 21.41 77.55 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 44.0 t -68.47 147.22 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.318 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -68.53 111.29 4.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -134.05 149.84 51.17 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.878 0.37 . . . . 0.0 110.226 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 17.2 t -84.92 105.55 15.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.692 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.83 HD21 ' H ' ' B' ' 327' ' ' GLY . 0.0 OUTLIER 170.19 -44.4 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . 0.83 ' H ' HD21 ' B' ' 326' ' ' ASN . . . -102.07 7.56 54.89 Favored Glycine 0 N--CA 1.465 0.583 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -62.97 -38.74 92.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.054 0.454 . . . . 0.0 110.753 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.417 ' H ' ' CD ' ' B' ' 329' ' ' GLU . 48.2 mp0 -60.15 -19.5 54.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.061 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' B' ' 331' ' ' LYS . 21.1 pt-20 -43.76 -41.75 5.09 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.95 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' B' ' 330' ' ' GLU . 11.0 ptpt -71.3 -33.84 70.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.394 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -62.16 -47.41 84.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -64.19 -38.75 92.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.252 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.46 96.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -62.03 -41.77 98.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.196 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -64.43 -39.14 93.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 110.159 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -62.78 -39.03 92.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.073 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.42 -28.82 67.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.25 -41.69 92.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.721 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -98.65 18.06 17.73 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.84 0.352 . . . . 0.0 111.248 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -137.78 109.57 7.12 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.984 0.421 . . . . 0.0 110.289 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 19.6 tptm . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.593 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.11 83.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.59 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.1 ttp -57.54 131.74 51.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.06 -99.86 1.58 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.88 45.2 24.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -60.36 -108.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 57.84 38.39 27.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.607 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.508 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 56.9 mtmt -89.25 -48.71 7.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.1 t0 46.43 38.38 5.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 8' ' ' LYS . 78.3 m-20 -156.0 58.61 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.823 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.84 126.91 38.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.635 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -130.15 161.41 31.18 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.506 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.56 131.01 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.136 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.457 ' N ' ' HG1' ' A' ' 87' ' ' THR . 57.2 t80 -91.33 130.66 37.16 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.495 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -109.61 123.84 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.87 172.83 17.09 Favored Glycine 0 N--CA 1.467 0.726 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 54.38 38.55 29.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.876 0.37 . . . . 0.0 110.764 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.35 141.81 35.66 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.538 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -78.45 140.97 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.26 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.28 -24.71 66.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.18 -29.1 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.4 132.13 47.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -107.34 170.91 7.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.12 -41.24 96.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.33 -43.22 98.71 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.65 -44.73 95.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.788 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.49 -43.92 97.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.489 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 32' ' ' SER . 15.4 mt -57.14 -43.74 82.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.297 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.4 m -63.06 -40.4 97.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.87 0.367 . . . . 0.0 110.499 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.3 -48.8 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.022 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -85.87 -14.59 44.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.213 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' LEU . 4.1 t -44.92 -53.86 7.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.72 -178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -66.88 -38.24 85.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 111.676 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.664 ' HH ' ' ND2' ' B' ' 326' ' ' ASN . 62.6 m-85 -81.51 33.52 0.36 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.566 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' CZ ' ' A' ' 59' ' ' TYR . . . 96.09 74.05 1.2 Allowed Glycine 0 N--CA 1.465 0.59 0 C-N-CA 119.962 -1.113 . . . . 0.0 111.185 -179.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 p -53.24 126.11 44.29 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 121.082 0.467 . . . . 0.0 111.021 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.9 162.4 37.39 Favored 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 123.323 2.682 . . . . 0.0 112.332 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -90.91 -16.17 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -165.52 156.8 14.18 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.93 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 t -134.06 137.04 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.1 mt -115.91 118.98 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -113.79 127.76 56.14 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.4 m -70.06 132.24 45.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.705 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -157.12 148.2 21.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.527 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' A' ' 49' ' ' GLY . 70.0 m-20 -86.67 129.27 34.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.384 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.35 -17.1 64.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.571 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.63 -43.01 98.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.5 p -127.53 -27.75 2.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.885 0.374 . . . . 0.0 111.065 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 94.2 7.25 60.98 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.08 146.4 43.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.653 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.0 m -69.51 145.35 52.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -92.88 0.31 57.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.667 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.43 8.97 76.69 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -121.57 149.68 42.78 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.144 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.5 140.62 15.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -121.19 125.08 46.26 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.136 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -92.07 143.44 26.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.056 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -108.44 101.71 10.87 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 1.2 m-85 -100.05 132.83 45.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -70.2 -40.83 74.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.986 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -108.45 130.88 55.24 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.408 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.47 ' O ' ' OG1' ' A' ' 65' ' ' THR . 18.5 pt20 -77.29 -19.06 56.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -70.78 -41.14 72.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 110.937 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -63.16 -36.14 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.823 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 70.8 p -51.81 -34.88 42.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.476 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.41 ' N ' ' HG1' ' A' ' 65' ' ' THR . 93.8 mt -62.49 -43.21 98.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 120.817 0.341 . . . . 0.0 110.454 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 27.5 mt -59.9 -50.93 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.052 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.31 79.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 51.1 t -56.76 -67.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.292 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.37 -36.17 82.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.877 0.37 . . . . 0.0 111.763 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 99.1 m-20 -62.78 -49.82 73.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 3.8 mm? -85.5 -28.38 25.01 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.832 0.349 . . . . 0.0 111.68 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 34.2 t30 -62.66 118.76 8.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.563 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.48 -18.86 34.86 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -86.94 133.3 33.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.827 0.346 . . . . 0.0 110.323 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -88.6 126.67 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.247 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.7 mt -135.66 129.53 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.413 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.09 19.09 79.83 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.41 -4.69 85.23 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -134.95 158.09 45.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.69 116.98 29.5 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.468 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.04 154.85 40.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.269 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -117.06 121.37 41.13 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.775 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mm -102.29 121.98 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 66.0 t0 -136.64 140.02 42.48 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.712 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.495 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 38.8 m170 -63.92 140.08 58.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.446 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.457 ' HG1' ' N ' ' A' ' 14' ' ' TYR . 95.0 m -125.94 130.97 52.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.573 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -105.13 7.25 33.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.638 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.446 ' CE2' ' O ' ' A' ' 90' ' ' ARG . 87.7 t80 -59.55 129.9 44.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.466 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.446 ' O ' ' CE2' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -86.27 147.99 46.14 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 -179.69 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.49 167.91 25.06 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.958 2.439 . . . . 0.0 112.09 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -128.52 150.01 50.35 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.538 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 73.2 mmt-85 -92.92 -107.88 0.11 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.326 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.432 ' HG ' ' H ' ' A' ' 96' ' ' GLN . 48.5 t -151.91 138.61 18.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.544 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.04 -13.53 60.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.692 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' H ' ' HG ' ' A' ' 94' ' ' SER . 95.2 mt-30 -63.73 130.22 43.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt 43.55 32.01 0.49 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.708 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -122.39 102.65 8.23 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.372 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -176.86 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.462 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -74.36 -33.93 63.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.92 79.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.93 -40.8 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.613 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' ASP . 87.4 tttt -62.78 -45.84 90.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -69.57 -33.57 72.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.404 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.51 -45.15 85.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 107' ' ' ASP . 1.6 pp -95.9 -45.0 7.13 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.753 0.311 . . . . 0.0 110.546 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.525 ' CG ' ' H ' ' A' ' 108' ' ' ARG . 29.8 t0 38.61 -159.19 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.765 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.525 ' H ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -147.19 -0.18 0.69 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.906 0.384 . . . . 0.0 110.544 179.778 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' OD1' ' OD2' ' A' ' 107' ' ' ASP . 37.2 p-10 -91.22 3.26 55.29 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 92.2 mt -102.21 97.93 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 120.76 0.314 . . . . 0.0 110.473 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 113' ' ' LYS . 11.2 m -146.46 6.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.685 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.4 m 65.92 -4.07 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 111' ' ' VAL . 2.2 tppp? -63.5 -46.3 86.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.134 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 56.36 27.62 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.557 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 49.69 42.44 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.691 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.15 145.16 25.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.609 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -139.45 150.53 45.32 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.695 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.377 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -76.47 121.87 23.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.477 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -66.01 127.35 93.11 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.007 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.76 161.93 40.64 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 123.028 2.486 . . . . 0.0 112.11 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.53 130.14 91.77 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.063 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.98 139.09 20.72 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.96 2.44 . . . . 0.0 112.107 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 59.96 -132.45 0.89 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.341 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -82.25 130.24 35.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.765 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -89.71 -40.47 12.5 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.15 0.5 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -82.99 111.93 19.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.014 -179.379 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -94.41 78.12 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.502 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . 0.401 HG22 HD13 ' B' ' 313' ' ' ILE . 33.0 mm -62.42 134.89 27.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.176 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 21.2 mmt -78.76 121.31 83.35 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.385 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.46 139.58 45.92 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 123.106 2.537 . . . . 0.0 112.319 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -97.59 166.94 23.05 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 60.0 p -68.31 -23.49 64.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.708 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -63.42 -21.18 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.996 0.427 . . . . 0.0 110.713 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.593 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.3 t90 -61.23 -18.11 56.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.049 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 56.27 0.06 0.06 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.593 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 73.68 16.05 79.23 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.469 ' CG1' ' HD1' ' B' ' 323' ' ' HIS . 54.5 t -65.44 149.25 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 110.387 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . 0.493 ' HD1' ' N ' ' B' ' 323' ' ' HIS . 0.0 OUTLIER -67.03 138.45 57.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.714 -179.554 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.15 147.71 38.88 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.485 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 58.0 m -121.92 139.42 53.67 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.337 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.664 ' ND2' ' HH ' ' A' ' 34' ' ' TYR . 7.2 p30 -150.79 -7.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . 162.21 126.73 0.84 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' B' ' 330' ' ' GLU . 71.4 t80 -61.8 -48.76 79.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.791 0.329 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 15.3 pm0 -43.46 -22.03 0.04 OUTLIER 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 111.048 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' B' ' 328' ' ' PHE . 14.7 tm-20 -56.14 -19.98 15.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.077 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.461 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.0 OUTLIER -57.91 -47.72 82.01 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.511 -179.104 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' B' ' 329' ' ' GLU . 68.8 p-90 -85.29 -23.3 28.21 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 111.194 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -65.62 -37.1 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.574 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.18 -47.96 83.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.502 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -67.16 -43.51 82.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.162 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -61.2 -48.6 80.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.685 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -65.94 -38.06 87.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.712 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.74 -43.22 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.04 -48.76 87.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.199 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 64.7 t30 45.54 47.0 11.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.634 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 56.46 100.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.574 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.01 148.14 25.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.908 0.385 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.8 mtt 53.14 46.53 26.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.644 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.32 170.17 43.31 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -135.04 164.84 26.73 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 110.565 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.5 mp0 -62.37 -43.79 98.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -172.43 148.09 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.612 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.55 145.9 46.86 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.788 0.328 . . . . 0.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -145.95 35.61 1.02 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.741 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.423 ' O ' ' CE1' ' A' ' 12' ' ' TYR . 31.5 m120 -101.49 16.55 25.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.366 . . . . 0.0 110.67 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.73 143.53 47.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.517 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.423 ' CE1' ' O ' ' A' ' 10' ' ' ASN . 95.0 m-85 -129.13 146.64 51.02 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.688 0.28 . . . . 0.0 110.986 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -97.92 121.73 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -81.62 121.03 25.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.802 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -111.31 118.63 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -116.14 179.07 17.75 Favored Glycine 0 N--CA 1.47 0.959 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 11.0 t30 56.16 43.76 26.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.773 0.32 . . . . 0.0 110.237 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 tt -96.37 122.15 38.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.397 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.416 ' ND2' ' CG ' ' A' ' 21' ' ' GLU . 65.8 t30 -77.51 143.13 38.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.692 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -58.93 -18.29 32.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.445 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' CG ' ' ND2' ' A' ' 19' ' ' ASN . 81.1 mm-40 -67.06 -29.61 69.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -84.59 133.58 34.42 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.498 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -107.78 -179.22 3.84 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.94 -40.51 97.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.82 -41.19 99.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.38 -43.23 98.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.47 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.08 -43.63 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.211 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.1 mt -57.63 -46.51 84.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.324 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.0 m -59.15 -42.01 89.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.109 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.06 -49.71 83.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.413 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -82.41 -14.52 55.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.88 0.372 . . . . 0.0 111.507 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LEU . 47.3 t -50.15 -55.88 13.26 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.82 -17.63 64.04 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.086 0.47 . . . . 0.0 111.761 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -106.99 33.03 4.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.57 71.82 1.03 Allowed Glycine 0 C--N 1.338 0.661 0 C-N-CA 119.817 -1.182 . . . . 0.0 111.249 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 8.0 p -52.85 125.41 39.05 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.795 -177.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 59.1 Cg_endo -73.7 159.27 45.94 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 123.257 2.638 . . . . 0.0 111.983 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.8 m -95.15 -16.22 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.448 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -160.66 133.45 6.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.707 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.9 t -125.98 124.06 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 120.735 0.303 . . . . 0.0 110.381 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 41' ' ' ILE . 76.6 mt -98.65 120.67 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.286 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -109.09 109.66 20.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.145 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -71.33 132.95 45.62 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.489 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -137.61 145.81 43.22 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.587 ' OD1' ' NE2' ' A' ' 52' ' ' GLN . 99.6 m-20 -74.4 129.63 38.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.361 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -64.9 -21.92 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.734 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -69.23 -44.24 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.4 p -113.42 -44.78 3.19 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.83 0.347 . . . . 0.0 111.144 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 83.98 7.04 86.06 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -67.23 -83.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.943 0.402 . . . . 0.0 110.422 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.3 t -166.76 144.18 4.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.587 ' NE2' ' OD1' ' A' ' 45' ' ' ASP . 7.8 mm-40 -83.58 -14.72 51.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.767 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.26 -3.72 60.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -150.34 160.56 43.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 110.428 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.74 164.87 38.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.541 ' CD1' ' CE1' ' A' ' 89' ' ' TYR . 94.1 m-85 -104.95 137.23 43.03 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.759 0.314 . . . . 0.0 110.447 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 tt -111.37 126.12 54.58 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.025 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 0.9 OUTLIER -98.41 109.01 21.84 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.962 0.411 . . . . 0.0 110.267 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 30.7 p90 -98.31 160.6 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.04 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -89.72 -44.42 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' O ' ' OG ' ' A' ' 64' ' ' SER . 68.0 m-20 -109.12 141.02 41.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.737 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -64.51 -32.26 73.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.961 0.41 . . . . 0.0 110.636 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -59.99 -24.37 64.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.668 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.472 ' HG ' ' N ' ' A' ' 65' ' ' THR . 99.2 p -63.54 -35.56 80.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.552 ' HG1' ' N ' ' A' ' 66' ' ' ILE . 43.4 p -64.07 -39.73 94.71 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.663 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.552 ' N ' ' HG1' ' A' ' 65' ' ' THR . 96.8 mt -63.86 -43.81 97.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.278 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.2 mt -57.23 -51.87 67.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.823 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.64 -61.46 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.022 0.439 . . . . 0.0 111.796 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 p -49.38 -19.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.049 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -85.9 -49.28 7.99 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -98.58 -38.21 9.24 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 3.0 mm? -75.74 -14.84 60.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.037 0.446 . . . . 0.0 111.212 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -79.56 113.88 18.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.756 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.18 7.64 79.77 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -86.67 129.06 35.01 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.904 0.383 . . . . 0.0 110.687 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.43 119.11 19.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.759 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 77' ' ' ILE . 14.6 tt -137.63 126.63 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.422 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.87 17.11 73.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.66 81.13 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -122.27 146.16 47.55 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.828 0.347 . . . . 0.0 110.604 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.531 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -77.44 138.54 39.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.416 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mt -81.69 144.07 31.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.793 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -129.55 101.64 6.02 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.11 135.92 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.418 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 56.4 t0 -154.04 141.45 19.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.635 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.43 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 42.5 m170 -75.58 141.54 42.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.701 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.4 t -146.24 150.0 34.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.626 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -118.8 24.42 10.87 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.541 ' CE1' ' CD1' ' A' ' 56' ' ' TYR . 1.5 p90 -58.36 134.13 56.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.295 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -69.01 145.98 96.97 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.061 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.49 143.46 47.39 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 122.94 2.427 . . . . 0.0 112.173 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 48.99 45.05 22.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -158.28 -62.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.445 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.7 m 52.27 45.71 27.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.627 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.457 ' CG ' ' H ' ' A' ' 96' ' ' GLN . 4.0 tp -140.77 -137.79 0.12 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.628 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.457 ' H ' ' CG ' ' A' ' 95' ' ' LEU . 19.5 tm0? 64.45 117.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.205 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.1 tttp 53.72 82.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.241 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.431 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 3.4 t80 -100.79 105.93 17.29 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.506 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 98' ' ' TYR . 2.6 m-85 -167.13 -66.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.039 0.447 . . . . 0.0 110.512 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.81 -38.7 92.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.612 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.29 -26.35 64.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.642 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 99' ' ' TYR . 94.4 t -39.77 146.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.472 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -61.08 166.54 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 57.56 41.26 26.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.357 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.41 ' CG ' ' H ' ' A' ' 106' ' ' LEU . 3.2 pt-20 -87.19 -103.75 0.07 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.048 0.451 . . . . 0.0 110.431 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.41 ' H ' ' CG ' ' A' ' 105' ' ' GLU . 59.1 tp -62.55 -37.02 84.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.543 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.76 -8.91 3.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.597 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -59.0 -41.63 88.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.435 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -99.35 97.69 8.72 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.813 0.339 . . . . 0.0 110.977 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.417 HD13 HG23 ' A' ' 110' ' ' ILE . 96.8 mt -135.17 121.67 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.35 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.531 ' C ' ' H ' ' A' ' 113' ' ' LYS . 34.2 m -98.65 -38.85 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.582 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.5 t 55.18 5.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.603 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.531 ' H ' ' C ' ' A' ' 111' ' ' VAL . 55.4 mtmt -139.54 145.94 39.3 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.631 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -103.53 177.41 4.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.453 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -97.51 93.44 6.45 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.255 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' A' ' 118' ' ' LYS . . . -61.89 -42.97 99.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.74 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 69.15 -37.87 0.38 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.718 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.544 ' H ' ' C ' ' A' ' 116' ' ' ALA . 61.9 pttt . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.579 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.66 145.34 56.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -90.7 123.04 66.17 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.961 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -75.43 160.45 38.71 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 123.182 2.588 . . . . 0.0 112.268 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . 0.547 ' N ' ' CD ' ' B' ' 307' ' ' PRO . . . -94.12 -46.17 0.29 Allowed Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.499 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' B' ' 306' ' ' ALA . 31.4 Cg_exo -58.95 147.75 88.18 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.897 2.398 . . . . 0.0 112.183 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 54.1 mt-10 -63.75 122.49 16.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.432 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' B' ' 308' ' ' GLU . 91.8 m-20 -149.48 136.36 19.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.757 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' B' ' 329' ' ' GLU . 72.9 mtm180 -86.88 -47.74 8.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.155 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' B' ' 310' ' ' ARG . 92.7 m-85 -148.69 -177.74 5.95 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.886 0.374 . . . . 0.0 110.464 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -134.04 68.56 1.48 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.83 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . 0.409 HD13 HG22 ' B' ' 313' ' ' ILE . 24.2 mm -99.29 125.19 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 6.1 ptp -72.34 149.93 91.62 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -70.68 151.2 63.65 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.918 2.412 . . . . 0.0 112.003 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -110.26 157.05 15.25 Favored Glycine 0 N--CA 1.468 0.828 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 45.8 t -62.23 -39.26 92.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 110.472 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.73 -10.22 34.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.496 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.577 ' C ' ' H ' ' B' ' 321' ' ' GLY . 17.7 t90 -61.54 -16.63 49.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.337 0.589 . . . . 0.0 111.077 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 55.05 1.02 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.768 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 75.03 16.74 80.43 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.528 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 82.0 t -76.14 140.04 17.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.525 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.35 125.93 33.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -137.44 108.19 6.63 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 81.8 p -159.06 166.01 32.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.576 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -136.3 119.67 16.85 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.359 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -67.24 -15.08 65.03 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -60.07 -27.81 67.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.852 0.358 . . . . 0.0 110.476 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.491 ' OE1' ' NH1' ' B' ' 310' ' ' ARG . 19.2 pt-20 -62.17 -21.15 64.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.622 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -49.13 -28.97 4.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.46 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -56.85 -34.36 67.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.715 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -62.61 -48.85 77.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.775 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -63.69 -39.05 93.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.18 94.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.198 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -72.38 -34.15 67.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -61.04 -30.42 70.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -83.2 -42.28 17.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.659 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.28 -43.26 70.8 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . 0.402 HG21 HD13 ' B' ' 339' ' ' ILE . 50.0 mm 47.48 88.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.811 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -153.53 117.15 4.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.491 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 57.55 99.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.21 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.514 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.79 49.36 20.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.494 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.4 tpp -65.42 127.02 30.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.07 -112.02 0.02 OUTLIER Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 7' ' ' TYR . 80.0 m-20 53.89 38.06 27.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.644 0.259 . . . . 0.0 110.386 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 46.68 19.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.486 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.403 ' N ' ' C ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER -102.29 -64.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.668 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -102.66 97.36 7.56 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.567 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -158.22 -130.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.841 0.353 . . . . 0.0 110.459 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -82.24 61.46 5.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.387 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.542 ' O ' ' CD1' ' A' ' 12' ' ' TYR . . . -88.67 117.06 27.37 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.508 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 11' ' ' ALA . 38.1 m-85 -153.17 153.23 32.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -110.87 130.75 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -86.27 125.78 33.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.3 mt -121.85 125.24 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.355 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.38 178.45 17.36 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 57.05 40.54 28.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.814 0.34 . . . . 0.0 110.616 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -100.7 153.75 19.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.477 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.435 ' OD1' ' OE2' ' A' ' 21' ' ' GLU . 1.2 m-80 -74.59 136.29 42.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.296 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -60.43 -44.37 95.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.747 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' OE2' ' OD1' ' A' ' 19' ' ' ASN . 18.7 pm0 -66.87 -11.87 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.494 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.73 126.61 28.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.467 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -104.23 172.36 6.84 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.665 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -61.71 -36.32 80.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.462 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.03 -45.81 93.37 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.67 -44.97 88.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.544 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.46 -43.96 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 32' ' ' SER . 16.9 mt -58.22 -42.79 87.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.4 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.3 m -63.54 -41.42 98.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.0 t -67.49 -45.13 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.956 0.407 . . . . 0.0 111.014 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -86.2 -14.88 42.64 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 111.113 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LEU . 1.7 m -47.81 -57.16 5.97 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.036 0.446 . . . . 0.0 111.502 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -69.87 -30.26 67.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.253 0.549 . . . . 0.0 111.106 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -90.31 34.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.182 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.49 73.32 1.13 Allowed Glycine 0 N--CA 1.465 0.583 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.481 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 9.9 p -54.37 118.9 17.72 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-O 120.958 0.409 . . . . 0.0 110.67 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 60.2 Cg_endo -75.15 159.14 41.14 Favored 'Trans proline' 0 N--CA 1.505 2.161 0 C-N-CA 123.676 2.917 . . . . 0.0 111.803 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 m -92.62 -22.25 5.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -150.09 142.17 24.0 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.733 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.1 t -135.16 132.82 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.766 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.3 mt -117.46 123.15 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-O 120.692 0.282 . . . . 0.0 110.696 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.75 143.11 40.02 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.773 0.32 . . . . 0.0 110.62 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 50' ' ' GLU . 29.8 t -59.05 157.59 9.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 50' ' ' GLU . 84.4 mtp180 -104.55 154.91 19.32 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.781 0.324 . . . . 0.0 110.788 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 52.7 t0 -50.37 147.6 4.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.746 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 3.2 pp20? -65.44 -21.96 66.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.65 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -64.84 -45.22 87.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.2 t -89.04 -39.23 13.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.67 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -147.19 -112.5 0.71 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 44' ' ' ARG . 10.7 pt-20 -134.6 134.78 41.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.576 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.64 ' C ' ' H ' ' A' ' 53' ' ' GLY . 78.2 p -99.15 -67.1 0.86 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.464 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 62.94 -32.19 0.1 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 120.844 0.354 . . . . 0.0 110.615 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.64 ' H ' ' C ' ' A' ' 51' ' ' SER . . . 86.9 42.58 6.3 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -129.13 160.2 33.61 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.958 0.408 . . . . 0.0 110.38 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.69 153.91 32.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CE2' ' CE2' ' A' ' 89' ' ' TYR . 61.9 m-85 -106.88 145.15 32.52 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.285 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -123.63 132.14 53.79 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.994 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 84.5 tttt -105.45 107.71 18.84 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 110.319 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.444 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 28.3 p90 -96.94 158.31 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.815 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -88.73 -38.56 14.62 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 10.0 p-10 -116.38 140.05 49.76 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.783 0.325 . . . . 0.0 110.628 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -62.63 -29.66 70.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -59.36 -26.6 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.717 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.7 m -60.11 -37.92 81.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.1 p -63.51 -40.17 96.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.414 HD11 HG23 ' A' ' 66' ' ' ILE . 96.9 mt -65.04 -42.29 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.091 0.472 . . . . 0.0 110.796 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD2' ' CD1' ' B' ' 311' ' ' PHE . 47.9 mt -65.89 -38.79 89.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.071 0.463 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.98 65.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.092 0.472 . . . . 0.0 111.191 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.39 -19.32 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.156 0.503 . . . . 0.0 110.612 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.96 -46.31 62.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.804 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' B' ' 325' ' ' SER . 54.7 t30 -115.82 -42.55 3.08 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -177.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.08 10.72 1.77 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.926 0.393 . . . . 0.0 111.196 -177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -86.62 110.51 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.35 9.08 87.32 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -54.26 131.26 41.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.6 0.238 . . . . 0.0 110.467 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.46 106.02 15.73 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.4 mt -141.35 125.42 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.906 0.384 . . . . 0.0 110.278 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.53 18.52 79.96 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.36 3.56 89.93 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -125.31 153.39 43.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 110.566 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.52 124.48 40.53 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.03 142.84 58.23 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.786 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -118.67 101.6 8.23 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.096 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.425 HG22 HD11 ' A' ' 84' ' ' ILE . 17.0 mm -98.26 132.75 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.634 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.62 143.45 14.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.688 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -73.53 145.62 45.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.573 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -147.35 146.38 29.64 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.68 8.5 44.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.326 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.632 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 64.3 t80 -54.5 127.9 29.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.506 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.449 ' H ' ' CD ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -79.39 152.84 76.26 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.22 145.77 73.61 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 123.106 2.537 . . . . 0.0 111.86 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.59 53.57 1.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.631 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -61.16 -41.41 96.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.425 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.4 m -161.65 65.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.565 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 10.5 mp 53.75 40.48 31.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.372 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -74.51 139.88 44.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.636 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 47.89 28.02 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.99 -37.02 86.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.539 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -55.38 -44.9 76.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.142 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -69.45 -32.92 72.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.504 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.1 94.85 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.4 m -73.77 -31.68 32.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.577 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -62.73 -49.41 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -70.12 -40.24 74.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.03 -42.14 99.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.19 -40.32 97.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.429 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -85.18 82.77 8.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.588 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.94 -40.31 97.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.492 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -167.62 157.68 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.8 pt -120.67 143.55 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 67.4 t -128.25 128.17 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.608 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.3 t -172.37 54.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.489 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 117' ' ' GLU . 9.2 ptmm? -163.34 -39.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -63.83 -37.6 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.657 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -91.88 18.52 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.686 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.58 -69.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 113' ' ' LYS . 98.9 mt-10 -62.32 -40.14 95.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.692 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.645 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.19 139.09 58.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.389 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -83.28 120.63 76.07 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . 0.412 ' HG2' ' H ' ' B' ' 306' ' ' ALA . 59.9 Cg_endo -76.01 -82.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.508 2.346 0 C-N-CA 123.541 2.827 . . . . 0.0 111.963 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . 0.412 ' H ' ' HG2' ' B' ' 305' ' ' PRO . . . -161.89 161.17 21.99 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.28 166.37 19.37 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 123.112 2.541 . . . . 0.0 111.862 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -55.05 -44.53 74.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.61 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -72.31 150.88 43.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.37 -40.91 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.74 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.453 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 11.5 m-85 -103.5 -169.67 1.68 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.892 0.377 . . . . 0.0 110.328 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -123.89 45.38 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . 0.404 HG23 HD12 ' B' ' 313' ' ' ILE . 23.8 mm -89.63 116.17 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.136 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 314' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.2 OUTLIER -77.5 147.82 75.95 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.36 165.4 31.79 Favored 'Trans proline' 0 N--CA 1.503 2.031 0 C-N-CA 123.404 2.736 . . . . 0.0 111.978 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -135.43 171.14 22.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 42.7 t -69.79 -41.16 75.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.021 0.439 . . . . 0.0 110.87 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -60.21 -23.48 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.65 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.5 t90 -59.07 -20.79 56.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 110.787 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.29 -28.57 0.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.65 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 100.4 15.1 30.88 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 4.3 p -62.84 138.6 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.614 0.245 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -82.83 129.63 35.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.803 0.335 . . . . 0.0 110.575 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . 0.719 ' NE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -135.99 108.45 7.38 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.343 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 325' ' ' SER . . . . . 0.442 ' HG ' ' C ' ' B' ' 324' ' ' ARG . 66.8 m -154.43 124.53 6.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.648 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -171.98 61.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.396 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -140.86 168.61 25.23 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -63.27 -24.26 67.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.726 0.298 . . . . 0.0 110.732 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -61.37 -18.71 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.133 0.492 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.18 -37.56 69.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.5 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.413 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 54.7 pttt -60.97 -38.12 84.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.366 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . 0.413 ' N ' ' CG ' ' B' ' 331' ' ' LYS . 76.9 t90 -61.74 -48.08 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.321 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -65.08 -38.93 92.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.372 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.85 98.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.687 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -60.75 -44.37 96.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.391 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -64.02 -40.96 97.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.438 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -66.15 -35.21 79.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.98 -43.11 99.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.685 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 40.1 pt -87.26 21.15 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.904 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -86.01 -110.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.744 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.71 -0.5 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.755 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 13.9 tptm . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.56 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.96 140.58 58.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.786 0.327 . . . . 0.0 110.561 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 mmt -87.58 77.69 8.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 110.779 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.82 149.11 9.38 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -101.55 -47.89 4.51 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.743 0.306 . . . . 0.0 110.453 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -143.04 145.83 33.27 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -118.2 -3.83 11.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.659 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -82.56 134.98 35.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.566 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 49.71 36.91 11.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.465 ' O ' ' OD1' ' A' ' 10' ' ' ASN . 42.3 t-20 -123.81 5.39 8.77 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.844 0.354 . . . . 0.0 110.448 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.06 117.92 30.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.81 0.338 . . . . 0.0 110.501 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -131.38 138.25 49.05 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.739 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -128.64 142.87 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.025 0.441 . . . . 0.0 110.173 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -93.92 117.59 30.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.0 mt -112.27 115.14 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.42 -179.9 16.52 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 63.96 32.32 13.18 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.932 0.396 . . . . 0.0 110.714 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.62 139.3 39.1 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.451 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.44 138.09 58.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.241 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -60.17 -19.17 52.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.22 -29.72 70.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.85 125.18 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.261 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.8 p -106.32 -173.94 2.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.634 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.44 -39.95 89.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.625 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.32 -44.83 97.13 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.99 -48.53 78.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 111.051 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.96 -45.96 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.324 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' OG ' ' A' ' 32' ' ' SER . 14.1 mt -59.86 -48.66 80.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.0 m -63.49 -42.42 98.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.049 0.452 . . . . 0.0 110.994 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.7 -48.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.164 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -85.74 -15.97 40.42 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.476 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 3.2 m -46.49 -58.06 4.13 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.894 0.378 . . . . 0.0 111.687 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -65.58 -26.29 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.03 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.498 ' OH ' ' O ' ' B' ' 324' ' ' ARG . 58.5 m-85 -100.74 34.76 2.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.672 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.44 72.02 0.95 Allowed Glycine 0 C--N 1.34 0.786 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.21 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 9.9 p -56.38 124.47 61.49 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-O 120.955 0.407 . . . . 0.0 110.848 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.69 159.47 35.18 Favored 'Trans proline' 0 N--CA 1.489 1.214 0 C-N-CA 123.06 2.507 . . . . 0.0 112.525 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -90.47 -16.87 8.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.645 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -173.27 155.92 3.02 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.722 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -140.47 150.53 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.657 0.265 . . . . 0.0 110.33 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.4 mt -111.04 119.39 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.855 0.36 . . . . 0.0 110.314 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 4.3 mm? -96.7 108.04 20.61 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.0 t -74.92 125.89 29.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.655 ' NE ' HE21 ' A' ' 52' ' ' GLN . 41.9 ttm180 -147.61 130.37 16.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.47 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -83.53 122.8 29.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.444 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -76.89 -6.61 53.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.31 -40.58 96.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -126.01 -16.03 5.69 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.782 0.325 . . . . 0.0 110.577 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.17 1.0 90.26 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' OG ' ' A' ' 51' ' ' SER . 88.2 tt0 -135.85 127.62 29.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.478 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 50' ' ' GLU . 6.6 m -174.38 -81.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.655 HE21 ' NE ' ' A' ' 44' ' ' ARG . 28.3 mp0 44.46 -134.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.76 -14.31 64.48 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.43 160.52 26.44 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.96 163.93 39.11 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.656 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -111.79 120.86 43.41 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.132 0.492 . . . . 0.0 110.559 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.87 144.03 26.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.506 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -120.9 106.31 11.51 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.9 0.381 . . . . 0.0 110.674 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.615 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 47.5 t80 -114.25 167.15 10.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.306 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.615 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 81.3 mm-40 -75.46 -59.0 2.94 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 95.4 m-20 -115.45 130.1 56.78 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.838 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' O ' ' OG1' ' A' ' 65' ' ' THR . 19.0 pt20 -59.77 -22.43 62.1 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.932 0.396 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -60.5 -22.07 63.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.601 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.562 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 82.9 p -78.26 -35.68 47.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.901 0.381 . . . . 0.0 111.383 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 62' ' ' GLN . 39.9 p -65.28 -32.51 74.2 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.732 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.9 tt -48.54 -31.76 3.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.43 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 8.9 mt -70.29 -53.39 17.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.159 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.0 79.1 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.686 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.428 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 74.5 t -59.74 -49.41 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.314 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -86.2 -11.09 53.39 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 90.0 m-20 -100.59 -14.65 18.09 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.3 mt -120.73 -16.34 8.23 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.005 0.431 . . . . 0.0 111.595 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.551 HD22 ' HZ3' ' A' ' 83' ' ' LYS . 14.5 t-20 -68.49 116.84 9.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.33 7.76 79.1 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' CD1' ' CB ' ' B' ' 326' ' ' ASN . 24.5 t80 -94.58 124.65 38.74 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 110.337 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -76.49 130.1 37.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.73 130.1 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 66.97 23.1 72.67 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.71 -8.9 79.11 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -134.45 155.45 50.32 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 122.622 -0.34 . . . . 0.0 110.78 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.55 135.63 40.68 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.707 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.556 ' H ' ' CD2' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -93.7 156.22 16.81 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.551 ' HZ3' HD22 ' A' ' 73' ' ' ASN . 42.4 tptt -123.43 126.8 47.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.98 135.54 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.36 0.6 . . . . 0.0 109.925 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 40.4 t0 -150.2 149.0 29.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.796 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.459 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 47.1 m-70 -78.61 130.46 35.94 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.13 -30.73 4.59 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.781 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 54.25 31.22 13.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.397 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -79.78 130.36 35.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.875 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.492 ' O ' ' CE2' ' A' ' 89' ' ' TYR . 3.0 mpt_? -83.13 148.51 56.58 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.05 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -48.41 147.96 8.33 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 123.023 2.482 . . . . 0.0 112.053 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.93 -174.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 62.05 22.19 12.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.238 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.5 m -133.24 154.97 50.18 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.707 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.6 tp -135.69 51.05 2.07 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.437 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 46.0 50.53 11.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.727 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 43.1 47.44 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.563 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 100' ' ' GLU . 29.1 t80 -52.11 -17.26 1.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.83 66.67 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.505 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' TYR . 31.7 tp10 -175.01 -38.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 110.669 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 105' ' ' GLU . . . -68.3 -27.85 66.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.669 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -55.57 -30.22 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.047 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -101.46 -24.4 14.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.753 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -100.21 3.95 44.01 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.881 0.372 . . . . 0.0 110.794 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 101' ' ' ALA . 19.1 pt-20 -57.29 138.2 55.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.625 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tp 54.41 24.98 5.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.468 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -157.31 106.59 2.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.735 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -170.0 -55.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.478 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -154.45 72.43 0.87 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 111' ' ' VAL . 16.1 tt -168.9 -53.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.42 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.463 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 14.4 p -78.32 -36.29 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.599 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 82.5 p -72.35 157.57 37.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -130.49 159.51 36.88 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.48 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -73.19 87.29 1.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.324 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -61.58 -38.79 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.718 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.16 86.63 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -83.44 120.94 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.471 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.909 -1.044 . . . . 0.0 110.481 -179.884 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 50.8 p90 . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.99 139.28 58.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.289 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . 0.522 ' H ' ' CD ' ' B' ' 304' ' ' LYS . 0.0 OUTLIER -67.18 151.17 97.42 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.87 -27.82 36.78 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.863 2.375 . . . . 0.0 112.097 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -109.89 154.59 42.53 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.716 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.33 150.91 84.36 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.799 2.333 . . . . 0.0 112.103 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 308' ' ' GLU . . . . . 0.525 ' OE1' ' CE1' ' B' ' 333' ' ' PHE . 3.2 pp20? -57.87 142.61 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.466 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' B' ' 308' ' ' GLU . 25.6 m-80 -170.83 146.37 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -84.12 -6.15 59.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 311' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 8.8 m-85 -114.28 -175.89 2.78 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.47 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -141.51 44.75 1.73 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.68 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 82.4 mt -84.37 123.22 38.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 314' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.0 OUTLIER -68.43 148.34 98.16 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.238 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.67 159.71 48.06 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 123.033 2.489 . . . . 0.0 112.192 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -103.36 153.25 18.02 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 88.8 p -61.72 -36.43 80.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.575 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -66.25 -3.9 6.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.661 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.1 t90 -63.11 -14.77 52.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.23 0.538 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 28.0 t0 62.94 -20.01 0.05 Allowed 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.759 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . 0.661 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 92.2 9.52 61.92 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 322' ' ' VAL . . . . . 0.402 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 80.5 t -71.09 135.11 28.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.841 0.353 . . . . 0.0 110.412 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -81.05 120.91 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.359 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . 0.498 ' O ' ' OH ' ' A' ' 34' ' ' TYR . 11.2 mmp_? -132.71 106.32 7.7 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 22.0 m -160.55 140.85 11.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.779 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 326' ' ' ASN . . . . . 0.412 ' CB ' ' CD1' ' A' ' 75' ' ' PHE . 17.5 t-20 -171.14 51.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.614 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -100.35 120.67 6.96 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -67.39 -24.57 65.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.731 0.301 . . . . 0.0 110.212 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.44 -19.82 50.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.401 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -48.45 -31.05 5.74 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.461 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -56.27 -28.57 59.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.399 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -60.9 -44.99 96.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.14 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 333' ' ' PHE . . . . . 0.525 ' CE1' ' OE1' ' B' ' 308' ' ' GLU . 73.0 m-85 -64.04 -39.53 94.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.218 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.55 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.502 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.28 -39.22 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.368 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -65.41 -24.67 67.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.65 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -86.88 -41.43 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.113 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -64.99 -39.82 94.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.781 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 339' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' B' ' 340' ' ' ASN . 9.0 tp -57.84 -27.5 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' B' ' 339' ' ' ILE . 7.0 m120 59.94 148.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.38 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -61.87 -38.8 89.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.501 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.906 0.384 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -135.91 144.78 45.7 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.713 HD11 HD11 ' A' ' 57' ' ' LEU . 8.1 pt -129.51 146.44 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 121.055 0.455 . . . . 0.0 110.483 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -92.82 129.98 38.57 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.848 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.555 HD11 HD21 ' A' ' 57' ' ' LEU . 60.5 mt -116.31 120.95 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.828 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.6 169.73 20.69 Favored Glycine 0 N--CA 1.472 1.045 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 35.3 t-20 61.36 44.29 9.74 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.98 0.419 . . . . 0.0 110.533 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 156.33 17.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.275 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.5 143.51 57.86 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.934 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -64.75 -40.28 95.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -73.82 -11.18 60.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.7 122.05 12.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.348 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -106.05 179.16 4.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.53 -39.35 90.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.15 -44.42 97.38 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.5 m-20 -63.59 -43.08 98.01 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.736 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.94 -44.95 99.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.403 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 32' ' ' SER . 21.9 mt -60.46 -43.85 96.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.592 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.4 m -63.49 -42.64 98.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.857 0.36 . . . . 0.0 111.002 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 26' ' ' ASP . 71.2 t -61.68 -49.5 84.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.171 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -86.76 -12.79 47.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.828 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.8 t -43.63 -56.87 3.47 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -68.92 -39.49 79.62 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.096 0.474 . . . . 0.0 111.695 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -78.94 33.35 0.22 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.6 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 59' ' ' TYR . . . 98.11 71.27 1.02 Allowed Glycine 0 C--N 1.34 0.802 0 C-N-CA 119.574 -1.298 . . . . 0.0 111.904 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.5 p -56.88 126.92 73.81 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.043 -176.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 74.2 Cg_endo -76.8 161.12 33.75 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 123.278 2.652 . . . . 0.0 112.037 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.5 m -94.96 -8.16 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -160.89 143.73 12.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.743 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.14 126.38 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.1 mt -110.03 126.6 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.591 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 55' ' ' ALA . 16.1 mt -118.11 124.99 49.39 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.944 0.402 . . . . 0.0 110.606 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.9 m -73.16 139.59 46.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.622 179.715 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.441 ' O ' ' CD1' ' A' ' 54' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 53' ' ' GLY . 5.5 m-85 -150.47 144.23 25.26 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.371 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.576 ' HB2' HD23 ' A' ' 42' ' ' LEU . . . -154.82 147.53 24.34 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.606 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 56' ' ' TYR . 2.6 m-85 -141.53 136.95 31.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.193 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.713 HD11 HD11 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -127.66 146.49 50.54 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 17.8 ttmm -88.12 129.09 35.41 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 110.905 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -96.67 142.17 29.03 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.351 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.61 -41.63 97.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.944 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -123.06 135.62 54.49 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.926 0.393 . . . . 0.0 110.515 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.537 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 10.1 pm0 -69.81 -23.94 63.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -80.78 -29.37 36.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.945 0.402 . . . . 0.0 110.437 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.4 m -67.6 -23.95 65.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.544 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.696 ' O ' HG23 ' A' ' 69' ' ' VAL . 81.9 p -60.17 -27.37 67.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.39 -40.14 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.449 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 38.7 mt -56.33 -60.33 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.638 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.81 77.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.027 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 65' ' ' THR . 78.0 t -60.0 -65.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.303 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.26 -16.45 62.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 98.5 m-20 -90.55 -51.02 5.61 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.9 mm? -90.8 8.08 36.56 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.407 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 8.2 t-20 -78.61 109.67 13.03 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.12 1.88 90.2 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.543 ' CZ ' ' O ' ' B' ' 325' ' ' SER . 47.3 t80 -70.19 134.44 48.09 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -89.13 128.74 35.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.013 0.435 . . . . 0.0 111.786 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.5 mt -141.59 110.64 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.08 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 20.26 79.55 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.61 10.33 73.43 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -126.91 130.76 50.76 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.015 0.436 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.541 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -82.6 126.14 31.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.8 142.8 48.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -120.01 102.67 8.71 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.14 136.2 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.122 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -154.24 153.51 31.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -75.43 141.03 43.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.1 p -91.19 178.49 5.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.748 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -145.17 -5.6 0.68 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.74 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 28.0 p90 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.456 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.173 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.32 72.56 7.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.399 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.91 125.11 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.074 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 6.1 ptp -67.16 148.27 98.84 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.34 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.7 162.46 41.17 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 123.011 2.474 . . . . 0.0 112.217 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -118.98 168.16 13.27 Favored Glycine 0 N--CA 1.469 0.834 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 75.5 m -61.85 -36.69 81.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.938 0.399 . . . . 0.0 110.473 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -54.46 -25.33 24.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.699 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.649 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.1 t90 -60.67 -8.5 2.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.131 0.491 . . . . 0.0 111.483 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 11.1 t70 62.48 -22.61 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.649 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 88.74 17.21 57.05 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.502 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 25.1 m -74.29 152.94 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -68.81 124.32 23.36 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.834 0.349 . . . . 0.0 111.213 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -138.47 110.03 7.04 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 325' ' ' SER . . . . . 0.543 ' O ' ' CZ ' ' A' ' 75' ' ' PHE . 57.9 m . . . . . 0 N--CA 1.469 0.485 0 CA-C-O 120.921 0.391 . . . . 0.0 110.739 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.952 0.406 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -56.83 -20.75 24.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.635 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -49.05 -24.73 1.69 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -56.74 -30.62 63.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -61.61 -47.12 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.89 -39.78 93.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.403 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.93 98.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.652 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -61.84 -40.78 96.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.755 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -64.38 -42.1 96.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.32 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.01 -30.16 66.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.464 0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.689 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.827 0.346 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 87' ' ' THR . 76.3 m-85 -120.31 152.07 38.33 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.793 HD11 HD11 ' A' ' 57' ' ' LEU . 21.0 pt -115.24 137.59 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.144 0.497 . . . . 0.0 110.121 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -82.14 116.82 21.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.178 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.7 mt -108.79 97.73 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.21 173.42 30.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 50.25 39.29 19.58 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.752 0.311 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt -86.26 127.51 34.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -67.3 129.19 39.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.385 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -66.46 -23.31 66.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.59 -30.44 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 22' ' ' LEU . 7.7 mp -76.85 138.02 39.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.548 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -107.1 -170.46 1.71 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.96 -43.62 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.71 -41.2 99.57 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 30' ' ' VAL . 95.0 m-20 -62.27 -44.98 95.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 110.943 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.55 -42.49 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.366 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' SER . 28.4 mt -61.32 -46.15 91.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.565 HG23 ' O ' ' B' ' 319' ' ' TRP . 16.9 m -63.9 -39.37 94.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.993 0.425 . . . . 0.0 110.672 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 26' ' ' ASP . 69.3 t -63.38 -50.15 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.266 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -86.4 -12.9 47.89 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.666 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.4 m -42.08 -56.31 2.89 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.59 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -68.32 -37.76 80.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 111.201 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -83.95 35.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.591 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.51 71.16 0.97 Allowed Glycine 0 N--CA 1.468 0.782 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.596 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.8 p -53.2 107.29 0.81 Allowed Pre-proline 0 CA--C 1.535 0.366 0 CA-C-O 121.241 0.544 . . . . 0.0 110.758 -177.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.683 ' HG3' HD13 ' A' ' 57' ' ' LEU . 29.1 Cg_exo -60.28 155.3 46.94 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 123.056 2.504 . . . . 0.0 112.312 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.455 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 23.8 m -94.81 -25.93 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.042 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 38' ' ' VAL . 90.6 m-20 -145.72 136.84 24.73 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -127.3 129.06 70.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.726 0.298 . . . . 0.0 110.416 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.434 HD12 ' OH ' ' A' ' 89' ' ' TYR . 95.6 mt -100.78 124.56 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.716 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 42' ' ' LEU . 3.5 mm? -103.16 108.38 19.55 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.153 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.462 ' OG ' ' CE2' ' A' ' 54' ' ' PHE . 83.5 p -69.6 155.3 40.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.566 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.734 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.462 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 46.9 p90 -158.01 158.86 35.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.669 0.271 . . . . 0.0 110.559 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.66 167.24 30.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.568 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -130.67 128.47 40.98 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.797 0.332 . . . . 0.0 110.745 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 13' ' ' ILE . 4.4 pp -132.27 146.62 52.12 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.491 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -129.35 143.03 50.68 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.746 0.308 . . . . 0.0 111.106 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 42.2 t80 -117.88 167.84 11.04 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.666 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.566 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 45.5 tp10 -59.92 -42.99 95.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.529 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -104.89 113.19 26.63 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.95 0.405 . . . . 0.0 110.63 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -63.66 -33.25 75.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -58.62 -29.44 66.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.713 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.1 m -60.6 -25.53 66.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.794 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.5 p -62.37 -25.34 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.51 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.69 -39.03 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.37 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' B' ' 311' ' ' PHE . 23.9 mt -55.69 -49.22 73.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.721 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.53 94.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.12 -32.04 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.782 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -91.51 -13.97 31.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.221 -0.299 . . . . 0.0 111.567 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -118.36 -55.02 2.26 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 7.1 mp -90.06 21.47 3.69 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -85.51 108.06 17.75 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.261 -0.274 . . . . 0.0 110.561 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.64 2.81 70.65 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -63.66 126.56 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.688 0.28 . . . . 0.0 110.634 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -69.42 115.22 8.44 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.793 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 80' ' ' ARG . 16.2 tt -142.46 132.47 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.12 19.88 78.75 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.38 74.61 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' ILE . 97.2 mtt180 -136.84 153.71 50.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.832 0.348 . . . . 0.0 110.664 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.06 129.52 38.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -87.06 148.9 25.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.088 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -103.4 119.53 39.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.353 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.36 116.92 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.85 0.357 . . . . 0.0 110.287 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -143.93 161.39 38.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.432 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -88.86 131.77 34.96 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.37 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 12' ' ' TYR . 6.7 t -138.92 143.87 38.84 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -127.45 42.21 3.37 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.434 ' OH ' HD12 ' A' ' 41' ' ' ILE . 22.5 p90 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.484 ' CD1' HD21 ' A' ' 67' ' ' LEU . 78.9 m-85 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 120.695 0.284 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -125.77 49.12 1.98 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.82 0.343 . . . . 0.0 111.109 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 33.2 mm -80.27 127.62 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.04 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -89.14 118.54 69.28 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.107 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.74 147.26 32.18 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 123.256 2.637 . . . . 0.0 111.999 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -118.32 162.94 13.08 Favored Glycine 0 N--CA 1.469 0.874 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 67.9 m -60.74 -36.93 80.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.148 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -53.95 -22.01 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.36 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' THR . 20.6 t90 -61.87 -23.15 66.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.305 0.574 . . . . 0.0 111.473 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 20.2 t0 65.22 -11.29 0.16 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.731 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 81.13 18.95 68.16 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 29' ' ' THR . 8.7 p -63.29 150.57 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 O-C-N 122.711 -0.288 . . . . 0.0 110.442 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -81.8 133.23 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.824 0.345 . . . . 0.0 110.662 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.887 ' HE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -139.81 142.53 36.66 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.848 0.356 . . . . 0.0 110.167 -179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.499 179.339 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 72.4 t80 . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 120.804 0.335 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.31 -19.73 62.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.032 0.444 . . . . 0.0 110.777 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -47.99 -35.67 11.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -57.53 -37.46 73.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.986 0.422 . . . . 0.0 110.235 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -65.71 -45.46 82.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.349 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -45.93 88.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.138 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.27 93.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.456 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -57.77 -44.21 86.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.17 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.78 -37.75 88.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.574 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -89.03 -3.37 58.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.757 0.313 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 89' ' ' TYR . 38.5 m-85 -131.11 149.45 52.59 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.458 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -110.94 119.32 59.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -85.36 117.7 24.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.9 mt -114.29 128.81 71.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -142.03 172.79 23.98 Favored Glycine 0 N--CA 1.465 0.62 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 64.99 37.85 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.784 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.02 149.24 24.45 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.059 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -70.24 139.29 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.341 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HD2' ' H ' ' A' ' 20' ' ' ARG . 2.4 mpt_? -69.91 -17.95 63.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.229 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -64.93 -24.43 67.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.22 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.0 mt -85.76 139.1 31.6 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.325 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.1 p -106.01 -173.38 2.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.02 -41.27 96.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.455 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.5 -41.07 99.36 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' VAL . 96.6 m-20 -62.73 -42.82 99.85 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.822 0.344 . . . . 0.0 110.799 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -62.63 -44.23 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.076 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.9 mt -56.95 -48.0 79.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.246 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.596 HG23 ' O ' ' B' ' 319' ' ' TRP . 79.7 m -60.91 -43.25 98.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 111.364 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 26' ' ' ASP . 62.9 t -61.19 -47.23 94.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -85.54 -13.58 48.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.433 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' LEU . 27.7 t -47.55 -56.26 7.49 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -177.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -68.53 -25.42 64.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.912 0.387 . . . . 0.0 111.314 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -96.85 35.1 1.59 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.746 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' CE1' ' A' ' 59' ' ' TYR . . . 100.09 68.21 0.86 Allowed Glycine 0 C--N 1.342 0.869 0 C-N-CA 119.512 -1.328 . . . . 0.0 111.965 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.2 p -58.05 119.34 33.72 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.99 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.4 159.09 43.85 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 123.058 2.506 . . . . 0.0 112.374 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 38' ' ' VAL . 16.3 m -91.8 -16.75 7.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.2 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 58.3 t0 -172.78 139.83 0.92 Allowed 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.773 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 10.5 m -129.25 149.59 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -112.73 125.68 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mp -110.26 101.55 10.29 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.24 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.7 t -70.97 136.04 48.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.451 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 . . . . . 0 N--CA 1.469 0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.733 179.822 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -155.01 151.23 28.2 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.262 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.64 163.98 37.69 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -110.55 134.12 52.68 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.886 0.374 . . . . 0.0 110.494 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.36 145.29 37.77 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -131.07 108.23 9.62 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.363 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.447 ' CE1' ' C ' ' A' ' 35' ' ' GLY . 45.1 t80 -106.95 155.58 19.63 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -60.57 -42.05 95.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.733 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -107.72 156.33 19.21 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.322 0.582 . . . . 0.0 111.337 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -85.98 -21.78 27.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.325 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -66.74 -27.85 67.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.5 p -61.73 -22.53 65.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 69' ' ' VAL . 80.6 p -64.51 -36.89 85.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.69 -41.86 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.068 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' B' ' 311' ' ' PHE . 39.6 mt -61.87 -62.63 1.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.485 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.32 -36.51 14.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.634 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 65' ' ' THR . 68.8 t -69.51 -68.43 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.034 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -59.11 -14.8 11.2 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 26.1 m120 -91.16 -48.04 7.18 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.8 mt -101.51 0.95 37.52 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 35.1 t30 -80.25 115.58 19.88 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.55 -9.27 77.54 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -78.42 117.04 19.26 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -77.93 109.85 12.34 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.222 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 10.6 tt -121.15 129.39 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.039 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.18 15.8 72.55 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.24 -1.5 84.54 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -128.92 148.45 50.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.937 0.398 . . . . 0.0 110.781 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.32 151.33 23.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 82' ' ' LEU . 4.6 mp -93.34 153.86 18.31 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.592 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -122.58 100.69 7.06 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.443 ' CG2' HG22 ' A' ' 69' ' ' VAL . 5.9 mm -100.89 132.02 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.694 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -150.53 144.06 25.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.017 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -78.26 140.85 38.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.4 t -147.26 143.77 28.37 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -97.21 15.71 21.95 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.023 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 51.7 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.989 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.726 ' CD1' HD21 ' A' ' 67' ' ' LEU . 13.1 m-85 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 120.993 0.425 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -160.74 46.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.491 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 28.6 mm -63.45 128.69 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.291 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 314' ' ' MET . . . . . 0.541 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.2 mpt? -77.86 150.34 78.31 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.49 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.68 160.06 49.83 Favored 'Trans proline' 0 N--CA 1.502 1.972 0 C-N-CA 122.759 2.306 . . . . 0.0 111.956 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -121.01 167.55 14.02 Favored Glycine 0 N--CA 1.47 0.92 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 89.6 p -63.38 -30.2 71.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -68.42 -15.69 63.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.49 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.596 ' O ' HG23 ' A' ' 29' ' ' THR . 20.9 t90 -61.22 -25.54 67.13 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.386 0.612 . . . . 0.0 111.267 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.48 2.83 0.1 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 71.88 19.24 78.1 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 69.9 t -69.73 145.09 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.514 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -69.27 137.1 52.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.46 146.02 41.58 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.041 0.448 . . . . 0.0 109.86 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 CA--C 1.516 -0.345 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.314 179.778 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.285 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.462 ' OE1' ' NE1' ' B' ' 332' ' ' TRP . 78.6 mm-40 -55.03 -21.07 10.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.775 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -57.91 -19.85 32.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.695 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.544 ' CG ' ' H ' ' B' ' 332' ' ' TRP . 0.1 OUTLIER -59.65 -61.3 2.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.31 -179.619 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 332' ' ' TRP . . . . . 0.544 ' H ' ' CG ' ' B' ' 331' ' ' LYS . 62.9 p-90 -72.81 -24.41 60.91 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.027 0.442 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -67.89 -46.78 70.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.766 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.82 87.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.636 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -60.56 -42.41 96.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.498 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -63.04 -42.05 99.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.295 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -72.62 -27.94 62.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.338 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.574 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.798 0.332 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.427 ' O ' HG22 ' A' ' 87' ' ' THR . 12.1 m-85 -138.62 153.42 48.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.701 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 13' ' ' ILE . 2.8 mt -100.57 118.89 47.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -73.73 109.65 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.063 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.3 mt -110.76 111.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.64 177.12 19.92 Favored Glycine 0 N--CA 1.469 0.845 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 44.4 t30 55.58 38.96 30.88 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.785 0.326 . . . . 0.0 110.266 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.93 155.39 18.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -69.75 125.39 26.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.324 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -57.06 -18.21 13.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.48 -30.67 70.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.259 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.86 133.44 46.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.415 ' H ' ' HB2' ' A' ' 26' ' ' ASP . 61.0 p -105.52 -178.11 3.56 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.465 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -59.9 -47.14 86.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.205 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -37.41 94.63 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 30' ' ' VAL . 97.9 m-20 -62.11 -40.2 95.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.722 0.296 . . . . 0.0 110.505 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.89 -43.62 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.076 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 32' ' ' SER . 20.7 mt -57.4 -49.68 75.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.495 HG23 ' O ' ' B' ' 319' ' ' TRP . 60.7 m -61.11 -41.01 95.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 111.205 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 26' ' ' ASP . 78.6 t -62.72 -47.97 90.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.393 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -89.39 -15.43 33.28 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.5 p -47.37 -57.85 4.82 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.567 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -67.16 -12.29 59.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.232 0.539 . . . . 0.0 111.424 -179.344 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.658 ' CE1' ' ND2' ' A' ' 71' ' ' ASN . 54.5 m-85 -110.66 34.64 3.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.997 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.01 69.52 0.96 Allowed Glycine 0 C--N 1.339 0.73 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.155 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.2 p -55.47 123.01 48.04 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.914 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.1 160.83 36.2 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 123.239 2.626 . . . . 0.0 111.946 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.39 -0.32 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -167.12 143.27 4.32 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.53 124.78 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.402 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.9 mt -109.85 120.4 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.9 mt -104.8 132.07 51.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.632 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -70.82 123.53 22.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.363 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.673 -179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 53' ' ' GLY . 21.3 m-85 -142.75 148.9 37.97 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 122.757 -0.26 . . . . 0.0 110.512 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.03 147.15 26.77 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.983 0.421 . . . . 0.0 110.615 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -138.89 120.83 15.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.108 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -117.49 141.86 47.85 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.679 0.276 . . . . 0.0 110.53 -179.408 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.8 tttp -92.32 126.19 37.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.41 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 28.4 p90 -104.39 159.82 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.694 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -76.84 -43.68 35.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.024 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 67.4 m-20 -125.67 150.62 47.47 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.985 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.487 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 24.7 mp0 -64.94 -18.24 65.06 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.966 0.412 . . . . 0.0 110.404 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -59.07 -32.54 69.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.079 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 t -61.02 -39.99 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.65 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 69' ' ' VAL . 56.5 p -64.86 -46.79 80.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.33 -42.91 92.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.54 HD21 ' HD1' ' B' ' 311' ' ' PHE . 25.1 mt -64.93 -60.68 2.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.475 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.49 -38.97 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.475 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 65' ' ' THR . 52.2 t -59.26 -68.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.792 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -64.26 -20.37 66.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.949 0.404 . . . . 0.0 111.965 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.658 ' ND2' ' CE1' ' A' ' 34' ' ' TYR . 83.5 m-20 -82.19 -33.06 29.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.022 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.4 mt -114.42 -0.88 13.63 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.962 0.411 . . . . 0.0 111.58 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 21.9 t-20 -76.32 110.25 10.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.236 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.45 -0.73 55.72 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.536 ' CE2' ' CG1' ' A' ' 77' ' ' ILE . 10.0 t80 -95.26 121.91 37.4 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.16 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -83.26 138.32 33.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.351 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.536 ' CG1' ' CE2' ' A' ' 75' ' ' PHE . 78.7 mt -137.24 123.54 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.526 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.65 19.27 77.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.57 -10.75 72.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -116.82 143.21 45.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.837 0.351 . . . . 0.0 110.562 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.528 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -94.4 121.53 36.02 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.758 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.557 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.0 154.24 33.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.942 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -114.03 120.28 40.07 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.904 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 mm -107.04 116.13 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -149.61 144.81 26.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -71.04 144.38 50.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.485 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 12' ' ' TYR . 1.8 t -140.03 139.45 35.98 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.912 0.387 . . . . 0.0 110.58 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -88.83 1.49 55.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.195 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 43.8 t80 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.294 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.54 ' HD1' HD21 ' A' ' 67' ' ' LEU . 26.2 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.841 0.353 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -88.56 35.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.17 113.08 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.301 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 21.8 ptp -92.05 154.36 43.35 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.379 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -54.65 139.01 76.57 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 123.134 2.556 . . . . 0.0 112.189 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -88.81 173.57 41.77 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 87.6 p -71.76 -22.83 61.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.672 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -70.28 -10.49 59.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.631 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.8 t90 -61.34 -17.01 51.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.712 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 15.3 t0 60.45 -12.29 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.631 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 83.84 12.53 77.11 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.416 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 24.6 t -62.19 150.46 8.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.839 0.352 . . . . 0.0 110.326 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -65.55 145.63 55.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.597 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' A' ' 33' ' ' GLU . 39.2 ptt180 -137.58 156.23 48.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.724 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 120.92 0.39 . . . . 0.0 110.773 -179.827 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 CA--C 1.526 0.058 0 CA-C-O 120.806 0.336 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -65.26 -21.09 66.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.709 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -50.28 -34.54 23.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.525 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 21.0 pttp -58.18 -41.57 84.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.5 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 332' ' ' TRP . . . . . 0.47 ' O ' ' OE1' ' B' ' 336' ' ' GLN . 86.8 t90 -62.62 -48.35 79.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.29 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -63.48 -38.73 92.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.302 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.6 89.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.299 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -62.75 -42.36 99.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.23 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 336' ' ' GLN . . . . . 0.47 ' OE1' ' O ' ' B' ' 332' ' ' TRP . 3.3 mp0 -61.79 -36.54 81.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.602 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -80.23 -43.2 21.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.05 0.452 . . . . 0.0 111.227 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.567 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 120.741 0.305 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -127.6 140.17 52.28 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.946 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -121.58 143.91 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -91.63 119.4 31.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.9 mt -109.3 106.0 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.92 175.41 25.18 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 59.53 46.36 12.23 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -85.51 137.71 32.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.116 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.502 ' HB2' HD23 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -86.79 160.03 18.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.964 0.411 . . . . 0.0 110.693 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -70.33 -40.27 74.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.759 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' OE2' ' OD1' ' A' ' 19' ' ' ASN . 17.5 pm0 -68.23 -21.74 64.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.03 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.502 HD23 ' HB2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -61.38 114.4 3.18 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.328 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -101.67 170.92 7.86 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.827 0.346 . . . . 0.0 110.504 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.4 mp0 -62.91 -40.65 98.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.383 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.51 -41.96 99.66 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.88 -43.81 98.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.636 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.97 -43.83 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.355 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 32' ' ' SER . 8.8 mt -57.16 -44.5 83.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.287 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 319' ' ' TRP . 84.7 m -60.15 -40.14 88.82 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.16 0.505 . . . . 0.0 110.742 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 53.4 t -60.88 -48.29 89.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.433 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -87.72 -14.64 39.25 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.905 0.383 . . . . 0.0 111.769 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' LEU . 70.8 p -44.39 -60.23 2.04 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.516 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 87.4 tt0 -67.47 -35.99 80.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.567 . . . . 0.0 111.776 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.483 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 3.1 m-85 -86.32 34.28 0.63 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.177 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.96 74.53 1.15 Allowed Glycine 0 CA--C 1.527 0.837 0 C-N-CA 120.012 -1.089 . . . . 0.0 112.041 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.3 p -53.94 112.96 4.31 Favored Pre-proline 0 CA--C 1.547 0.85 0 CA-C-O 121.111 0.482 . . . . 0.0 110.843 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.99 159.0 27.17 Favored 'Trans proline' 0 N--CA 1.504 2.137 0 C-N-CA 123.764 2.976 . . . . 0.0 111.699 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 38' ' ' VAL . 23.7 m -92.5 -25.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.747 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -156.39 143.9 19.23 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.644 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.453 HG13 HD12 ' A' ' 57' ' ' LEU . 94.8 t -129.21 131.96 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.8 114.81 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tp -112.9 101.44 9.5 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.697 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.8 t -67.49 141.06 57.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.384 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 . . . . . 0 N--CA 1.466 0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.418 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.726 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -149.45 158.14 43.91 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.824 0.345 . . . . 0.0 110.741 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.29 153.52 25.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -109.72 127.43 54.6 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.986 0.422 . . . . 0.0 109.991 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.453 HD12 HG13 ' A' ' 40' ' ' VAL . 2.2 tp -110.25 130.66 55.51 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.849 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -93.83 110.97 22.6 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 120.879 0.371 . . . . 0.0 110.038 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' OG ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -100.29 133.06 45.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -70.38 -41.22 73.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.547 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' OG ' ' A' ' 64' ' ' SER . 89.9 m-20 -120.29 138.41 53.7 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.846 0.355 . . . . 0.0 110.806 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -68.46 -33.92 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.5 mtm-85 -61.5 -35.1 76.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.006 0.431 . . . . 0.0 111.178 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.514 ' OG ' ' CD1' ' A' ' 59' ' ' TYR . 93.2 p -59.4 -32.93 70.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.181 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.702 ' O ' HG23 ' A' ' 69' ' ' VAL . 69.6 p -59.07 -30.55 68.15 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.588 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.43 -41.81 91.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.148 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.522 HD21 ' CD1' ' B' ' 311' ' ' PHE . 30.2 mt -62.8 -52.12 64.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.65 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.51 98.99 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 121.02 0.438 . . . . 0.0 111.857 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 65' ' ' THR . 70.0 t -57.56 -65.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.513 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.99 -18.8 61.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.89 0.376 . . . . 0.0 111.996 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -87.62 -42.82 12.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 72' ' ' LEU . 4.4 mm? -95.57 -18.27 20.73 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.042 0.449 . . . . 0.0 111.82 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 23.7 t-20 -58.62 118.36 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.722 0.296 . . . . 0.0 110.356 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.19 0.27 89.52 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -78.24 132.93 37.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -90.56 109.47 20.62 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 80' ' ' ARG . 4.9 tt -123.86 143.78 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.601 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.97 -130.21 43.3 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.33 -72.15 1.02 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ILE . 2.7 mpp_? -102.23 167.07 10.23 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.892 0.377 . . . . 0.0 110.076 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.15 110.21 12.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.636 ' N ' HD23 ' A' ' 82' ' ' LEU . 1.7 pt? -50.22 144.66 6.91 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.464 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -108.39 127.92 54.31 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.062 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mm -104.06 125.15 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.793 0.33 . . . . 0.0 110.198 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 42.0 t0 -151.29 147.39 26.9 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.611 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 37.3 m170 -78.96 147.15 33.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.563 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.2 t -154.68 135.28 13.48 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.624 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -87.8 14.45 8.65 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.38 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.402 -179.859 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.522 ' CD1' HD21 ' A' ' 67' ' ' LEU . 28.5 m-85 . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 120.741 0.305 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -125.07 35.77 4.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.739 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 313' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 67' ' ' LEU . 83.6 mt -93.08 121.76 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.846 0.355 . . . . 0.0 110.139 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 11.2 ptp -77.24 150.54 80.45 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.621 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.02 165.01 33.96 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 123.331 2.687 . . . . 0.0 111.98 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -120.91 165.19 14.06 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 317' ' ' SER . . . . . 0.438 ' C ' ' H ' ' B' ' 319' ' ' TRP . 38.9 t -61.3 -42.99 99.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 110.586 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -54.76 -9.33 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.374 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.596 ' C ' ' H ' ' B' ' 321' ' ' GLY . 18.8 t90 -62.67 -15.03 50.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.452 0.644 . . . . 0.0 111.359 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 22.3 t0 56.93 -5.03 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 81.24 7.83 87.96 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.544 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 68.8 t -88.82 121.29 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.819 0.342 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 323' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' B' ' 323' ' ' HIS . 36.5 p-80 -101.19 123.31 45.13 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -133.1 106.38 7.59 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.541 179.777 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' B' ' 329' ' ' GLU . 20.8 p90 . . . . . 0 C--O 1.225 -0.22 0 CA-C-O 120.663 0.268 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.554 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 15.2 tm-20 -62.35 -30.69 71.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.962 0.411 . . . . 0.0 110.81 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.87 -30.51 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.72 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -50.16 -29.21 8.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.447 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -61.11 -49.01 79.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.306 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.91 -43.23 93.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.0 110.268 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.69 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -39.6 86.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.554 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -62.26 -41.57 98.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.162 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -66.11 -37.61 86.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.312 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.766 ' HB1' ' CZ ' ' A' ' 59' ' ' TYR . . . . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 120.66 0.267 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 11' ' ' ALA . 60.9 m-85 -158.14 146.48 18.8 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.11 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.434 ' C ' ' OG1' ' A' ' 87' ' ' THR . 2.3 mt -108.48 129.08 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 120.863 0.363 . . . . 0.0 110.044 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.523 ' N ' ' OG1' ' A' ' 87' ' ' THR . 40.9 t80 -74.87 118.96 18.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.118 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.625 HD11 HD21 ' A' ' 57' ' ' LEU . 51.4 mt -118.45 112.19 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.85 174.61 19.78 Favored Glycine 0 N--CA 1.471 1.011 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 55.65 38.86 30.7 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.825 0.345 . . . . 0.0 110.71 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -104.12 157.85 16.84 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 110.244 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.4 ' ND2' ' HG3' ' A' ' 80' ' ' ARG . 1.3 m120 -83.34 137.65 33.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.466 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -65.34 -20.23 66.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.511 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.37 -30.55 70.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.363 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' LEU . 10.9 mp -69.01 130.84 43.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.472 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -99.65 179.8 4.43 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.36 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.99 -39.92 91.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.86 99.72 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 30' ' ' VAL . 99.1 m-20 -61.19 -44.12 97.79 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.859 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.43 -43.7 98.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.136 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.505 HD13 ' NH2' ' B' ' 318' ' ' ARG . 32.1 mt -62.9 -44.52 95.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.458 HG23 ' O ' ' B' ' 319' ' ' TRP . 99.3 m -62.52 -41.47 98.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.947 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 26' ' ' ASP . 79.6 t -64.36 -48.11 86.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.53 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -82.97 -12.36 57.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.601 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.5 p -43.16 -57.09 3.1 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.48 -38.44 74.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.172 0.51 . . . . 0.0 111.556 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CD1' ' ND2' ' A' ' 71' ' ' ASN . 23.5 m-85 -80.13 34.33 0.3 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.19 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.3 73.17 1.12 Allowed Glycine 0 N--CA 1.466 0.652 0 C-N-CA 119.994 -1.098 . . . . 0.0 111.358 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.9 p -52.24 108.98 1.21 Allowed Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 121.417 0.627 . . . . 0.0 110.792 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -60.67 156.01 45.06 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 123.2 2.6 . . . . 0.0 112.093 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.1 m -98.2 -10.49 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.371 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 54.6 t0 -158.43 139.55 13.17 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.768 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 42' ' ' LEU . 21.0 t -125.85 127.72 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 120.705 0.288 . . . . 0.0 110.395 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.3 mt -107.82 114.6 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.079 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 40' ' ' VAL . 4.4 mp -116.98 130.1 56.47 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.647 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -62.16 155.31 24.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.164 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 . . . . . 0 N--CA 1.47 0.544 0 CA-C-O 120.928 0.394 . . . . 0.0 110.938 -179.596 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.744 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -158.49 161.14 37.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.614 0.245 . . . . 0.0 110.901 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.447 ' O ' ' CD1' ' A' ' 56' ' ' TYR . . . -152.84 154.99 36.25 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.683 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.447 ' CD1' ' O ' ' A' ' 55' ' ' ALA . 10.9 m-85 -136.07 135.89 39.74 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.739 0.304 . . . . 0.0 110.691 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -133.56 144.19 49.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -91.84 127.81 37.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.766 ' CZ ' ' HB1' ' A' ' 11' ' ' ALA . 17.3 p90 -96.82 153.88 17.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.744 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.61 -40.81 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 67.3 m-20 -124.75 150.06 46.65 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.145 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -65.42 -34.33 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -58.2 -20.87 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.405 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.3 t -60.97 -40.75 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.869 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 69' ' ' VAL . 70.3 p -60.56 -42.32 96.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.707 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.16 -44.24 97.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.209 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.588 ' CD1' HD12 ' B' ' 313' ' ' ILE . 19.5 mt -65.13 -62.91 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.279 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.77 -40.9 42.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 65' ' ' THR . 52.9 t -61.97 -67.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.549 -0.461 . . . . 0.0 111.284 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.6 -22.26 66.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.968 0.413 . . . . 0.0 111.892 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.599 ' ND2' ' CD1' ' A' ' 34' ' ' TYR . 77.6 m-20 -76.91 -48.62 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.55 18.9 19.84 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.867 0.365 . . . . 0.0 111.732 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.9 t30 -77.65 110.65 12.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.61 0.46 79.0 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -78.99 133.36 36.84 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.661 0.267 . . . . 0.0 110.342 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -94.18 133.55 37.57 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.545 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.8 mt -142.01 125.29 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.32 15.66 78.87 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.42 -5.85 84.25 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.4 ' HG3' ' ND2' ' A' ' 19' ' ' ASN . 19.8 mmm180 -118.92 134.24 55.3 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 110.594 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.87 113.56 22.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.698 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -72.39 152.18 42.18 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.063 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -114.87 114.53 25.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 mm -98.37 123.69 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.843 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -154.34 156.61 37.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.303 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -63.21 133.0 53.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.245 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.523 ' OG1' ' N ' ' A' ' 14' ' ' TYR . 11.2 m -89.05 127.06 35.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.072 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -102.12 -10.86 19.29 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.33 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.658 179.844 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.455 ' CD2' HD21 ' A' ' 67' ' ' LEU . 91.8 m-85 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -104.32 45.13 0.98 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 313' ' ' ILE . . . . . 0.588 HD12 ' CD1' ' A' ' 67' ' ' LEU . 95.8 mt -99.99 120.14 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 120.936 0.398 . . . . 0.0 110.538 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 314' ' ' MET . . . . . 0.459 ' N ' ' SD ' ' B' ' 314' ' ' MET . 2.8 mpp? -90.97 151.89 43.78 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.215 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.79 150.79 68.52 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.959 2.439 . . . . 0.0 112.335 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -103.25 176.9 24.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 95.4 p -66.55 -28.1 68.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.974 0.416 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 318' ' ' ARG . . . . . 0.505 ' NH2' HD13 ' A' ' 28' ' ' LEU . 36.6 ttt180 -62.31 -18.99 62.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.76 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.585 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.0 t90 -60.28 -16.6 35.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.165 0.507 . . . . 0.0 111.182 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 35.7 t0 64.27 -31.96 0.13 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.194 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 106.9 10.64 27.96 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.18 135.1 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -69.96 143.28 52.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.705 ' NE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -138.94 152.48 47.75 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.197 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 120.767 0.318 . . . . 0.0 110.439 179.481 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.518 ' CE1' ' OE2' ' B' ' 329' ' ' GLU . 47.1 p90 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 120.766 0.317 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.518 ' OE2' ' CE1' ' B' ' 328' ' ' PHE . 40.6 mp0 -58.85 -20.43 50.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.102 0.477 . . . . 0.0 110.553 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -51.24 -22.13 2.51 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.29 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.2 OUTLIER -51.97 -61.59 2.16 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.7 0.286 . . . . 0.0 111.555 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 332' ' ' TRP . . . . . 0.401 ' H ' ' HG3' ' B' ' 331' ' ' LYS . 33.2 p-90 -79.93 -23.34 41.8 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.187 0.518 . . . . 0.0 111.093 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.73 -29.83 61.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.51 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.48 94.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.455 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.87 -45.09 75.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.142 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -67.1 -19.96 65.72 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.414 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -83.57 -43.13 16.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.733 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 -179.874 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.736 0.303 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -118.52 151.35 38.01 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.791 0.329 . . . . 0.0 110.761 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.424 ' CD1' HG22 ' A' ' 65' ' ' THR . 1.6 mt -106.61 124.27 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -85.74 128.72 34.87 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.627 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -124.03 130.67 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.28 174.85 22.3 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 54.95 37.9 29.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.918 0.39 . . . . 0.0 110.496 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.781 HD23 ' H ' ' A' ' 18' ' ' LEU . 2.0 pt? -88.9 147.02 24.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.318 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -63.69 141.83 58.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.744 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -61.28 -30.54 70.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.446 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.59 -32.11 65.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.78 117.32 3.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.524 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 26' ' ' ASP . 6.6 t -104.51 -176.96 3.23 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 110.317 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' OE2' HD11 ' A' ' 28' ' ' LEU . 15.8 tm-20 -61.13 -39.83 91.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.575 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -40.79 96.26 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 23' ' ' THR . 99.1 m-20 -62.01 -40.04 94.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.0 -45.29 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD11 ' OE2' ' A' ' 24' ' ' GLU . 13.0 mt -55.26 -47.67 75.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.605 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.5 m -61.77 -43.13 99.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.956 0.408 . . . . 0.0 111.253 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' ASP . 76.3 t -62.31 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -85.5 -13.14 49.98 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.507 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' LEU . 87.8 p -43.81 -62.32 1.15 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HB3' HH11 ' B' ' 324' ' ' ARG . 16.3 tm-20 -72.87 -33.83 66.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.174 0.512 . . . . 0.0 111.305 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -86.68 35.12 0.66 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.159 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.64 70.58 0.91 Allowed Glycine 0 CA--C 1.523 0.582 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.903 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.7 p -55.7 121.27 38.24 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.348 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.54 157.27 44.8 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 122.975 2.45 . . . . 0.0 112.111 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 38' ' ' VAL . 19.2 m -92.46 -24.3 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.849 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -169.2 153.12 5.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.543 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 m -137.64 149.28 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.102 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -110.61 119.81 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.724 0.297 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -112.68 99.27 7.81 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.5 m -80.52 136.65 36.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.9 ttt-85 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.284 179.669 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -89.36 141.39 28.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.941 0.401 . . . . 0.0 110.384 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.36 155.54 41.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -112.26 123.49 50.4 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.89 0.376 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.414 HD23 HD12 ' A' ' 13' ' ' ILE . 1.3 tp -95.72 138.13 33.8 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.7 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -127.54 106.97 9.54 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.776 0.322 . . . . 0.0 111.032 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.553 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 7.0 t80 -117.72 142.88 46.75 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.266 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 15.2 tm-20 -55.25 -52.41 63.48 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.458 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -86.14 112.61 21.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 0.0 110.492 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -78.13 -20.05 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -68.96 -34.75 75.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.009 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.2 t -58.36 -38.7 77.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.952 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 69' ' ' VAL . 23.8 p -48.21 -26.98 2.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.577 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.0 mt -60.27 -47.9 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.312 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.688 HD21 ' CD1' ' B' ' 311' ' ' PHE . 5.0 mp -66.8 -45.74 77.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.062 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.87 78.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.949 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 98.8 t -65.05 -53.68 38.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.157 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -64.81 -14.93 60.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.737 0.304 . . . . 0.0 111.685 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 24.5 m120 -105.54 -22.67 12.95 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.6 mt -113.36 -7.59 13.48 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.923 0.392 . . . . 0.0 111.315 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 28.9 t-20 -76.19 113.58 13.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 110.432 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.25 3.75 89.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -80.11 123.43 27.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.466 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -72.81 121.81 20.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.12 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 77' ' ' ILE . 14.7 tt -139.45 125.94 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.37 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.03 17.81 75.9 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.82 3.62 80.03 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -125.88 153.15 44.59 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.045 0.45 . . . . 0.0 110.487 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.51 144.24 30.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 mt -88.8 140.58 29.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.869 0.366 . . . . 0.0 110.694 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -131.06 113.92 14.53 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.441 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 50.0 mt -134.94 142.26 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.578 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 84' ' ' ILE . 80.4 m-20 -147.11 157.12 43.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.961 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.19 132.13 35.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.985 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.7 t -137.72 140.37 40.67 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.055 0.455 . . . . 0.0 110.329 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -98.81 15.26 25.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.2 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.08 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.688 ' CD1' HD21 ' A' ' 67' ' ' LEU . 60.3 m-85 . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 120.806 0.336 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -135.47 48.81 2.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 87.6 mt -97.06 118.68 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.437 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 314' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.3 mpt? -89.39 148.72 41.15 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.222 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.62 161.17 47.0 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.991 2.461 . . . . 0.0 112.283 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -117.0 168.21 12.76 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 95.2 p -63.7 -35.59 81.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -59.41 -12.06 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.572 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.0 t90 -60.38 -11.65 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.225 0.536 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 55.95 -1.06 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.929 0.395 . . . . 0.0 111.174 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 75.84 10.76 84.96 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.519 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 53.1 t -65.61 139.62 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.672 0.272 . . . . 0.0 110.294 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -79.0 111.83 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.226 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.587 ' O ' ' NE ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -138.52 114.52 10.09 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 94.3 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.313 . . . . 0.0 110.606 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 84.3 t80 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.786 0.327 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.88 -21.33 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.783 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -59.37 -49.56 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.718 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -70.0 -27.79 64.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.647 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 332' ' ' TRP . . . . . 0.441 ' CZ3' ' OE1' ' B' ' 336' ' ' GLN . 48.1 t90 -61.71 -48.66 79.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.426 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.53 -38.09 83.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.233 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.34 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.431 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -63.46 -41.72 98.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.623 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 336' ' ' GLN . . . . . 0.441 ' OE1' ' CZ3' ' B' ' 332' ' ' TRP . 73.9 mt-30 -59.8 -41.45 91.23 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.338 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -62.97 -40.03 96.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.268 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.677 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.623 0.249 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -120.71 158.54 27.26 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.827 0.346 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -102.18 122.03 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -84.41 126.24 33.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.293 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 1.011 HD11 HD12 ' A' ' 57' ' ' LEU . 83.2 mt -118.89 121.71 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.29 167.47 23.43 Favored Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 61.44 41.48 12.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.003 0.43 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.49 143.16 26.65 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.175 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.42 ' HB3' HD13 ' A' ' 22' ' ' LEU . 49.9 t30 -65.42 138.34 58.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.372 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -61.05 -21.17 63.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -77.53 -28.43 51.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.545 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 19' ' ' ASN . 3.5 mp -65.92 117.67 8.63 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.328 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.1 p -96.64 173.68 7.21 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.385 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -60.08 -42.66 95.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.349 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.03 -40.12 98.49 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.3 m-20 -62.51 -40.68 97.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.886 0.374 . . . . 0.0 110.579 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.42 -41.63 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.155 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.79 -42.84 94.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.074 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.403 HG23 ' O ' ' B' ' 319' ' ' TRP . 29.4 m -63.62 -42.86 98.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.934 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' ASP . 87.6 t -65.33 -49.61 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -74.83 -14.22 60.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.231 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -43.77 -57.06 3.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.78 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.9 -39.79 69.32 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.218 0.532 . . . . 0.0 111.604 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' OH ' ' NE ' ' B' ' 324' ' ' ARG . 28.0 m-85 -79.49 33.7 0.25 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.002 -178.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.89 73.47 1.06 Allowed Glycine 0 C--N 1.341 0.84 0 C-N-CA 119.872 -1.156 . . . . 0.0 112.353 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.9 p -55.39 114.09 6.66 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-O 121.429 0.633 . . . . 0.0 109.88 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.79 159.97 41.37 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 123.577 2.851 . . . . 0.0 112.883 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.88 -14.53 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.37 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -158.94 147.94 18.61 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 t -137.4 128.4 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.466 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -114.95 115.89 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.902 0.382 . . . . 0.0 110.67 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.37 105.19 6.81 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.494 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -66.59 141.35 57.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.414 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 . . . . . 0 N--CA 1.463 0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.696 179.778 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.098 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -138.33 155.25 48.74 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.782 0.325 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.34 158.46 34.36 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.649 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -115.85 145.27 43.0 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.7 0.286 . . . . 0.0 110.41 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.011 HD12 HD11 ' A' ' 15' ' ' ILE . 2.3 mt -121.77 147.93 45.3 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.424 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -129.46 107.94 9.88 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 120.864 0.364 . . . . 0.0 111.194 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.614 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 81.9 t80 -109.25 175.26 5.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.931 0.396 . . . . 0.0 110.007 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.614 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 99.6 mt-10 -75.09 -59.08 2.9 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -110.38 126.69 54.53 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.9 0.381 . . . . 0.0 111.073 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -55.36 -18.81 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.531 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -60.45 -35.47 75.93 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.448 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 94.2 p -61.66 -22.97 65.76 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.258 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' HG22 ' A' ' 69' ' ' VAL . 51.1 p -60.52 -26.55 66.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.35 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.94 -38.36 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.334 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.621 HD21 ' CD1' ' B' ' 311' ' ' PHE . 40.1 mt -68.59 -43.1 77.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.442 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.08 -51.09 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.933 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.633 HG23 ' N ' ' A' ' 70' ' ' ASP . 20.6 m -66.42 -51.3 59.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 111.801 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.633 ' N ' HG23 ' A' ' 69' ' ' VAL . 42.8 t0 -56.71 -12.49 1.89 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -116.47 -52.46 2.57 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.7 mm? -79.24 -10.36 59.8 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -74.45 109.86 8.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.908 0.385 . . . . 0.0 110.075 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.19 3.64 78.79 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' B' ' 325' ' ' SER . 35.9 t80 -78.48 128.28 33.35 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.4 126.81 32.08 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.163 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.41 HD12 HD13 ' A' ' 82' ' ' LEU . 30.4 mt -140.06 113.35 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.143 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.76 21.91 78.81 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.66 -10.87 73.63 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -112.78 147.65 36.45 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 122.554 -0.38 . . . . 0.0 110.329 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.48 139.92 32.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.611 0.243 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 77' ' ' ILE . 9.7 mp -81.48 145.24 30.83 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.45 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -123.27 100.7 6.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.737 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.529 ' CG2' HG12 ' A' ' 69' ' ' VAL . 4.4 mm -96.29 141.55 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.237 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -156.99 151.78 25.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.634 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -78.55 142.78 37.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.757 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.7 t -153.41 142.05 20.91 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.139 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.9 27.01 2.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.073 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.7 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.292 -179.588 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.621 ' CD1' HD21 ' A' ' 67' ' ' LEU . 7.7 m-85 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -109.0 22.71 15.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.183 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 313' ' ' ILE . . . . . 0.542 HD12 ' CD1' ' A' ' 67' ' ' LEU . 77.6 mt -86.98 115.74 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 13.2 mmt -81.59 149.98 65.64 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.721 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.53 154.2 68.98 Favored 'Trans proline' 0 N--CA 1.502 2.003 0 C-N-CA 123.087 2.525 . . . . 0.0 112.097 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -111.93 172.49 14.88 Favored Glycine 0 N--CA 1.469 0.842 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 74.9 m -61.97 -28.7 69.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.896 0.379 . . . . 0.0 110.483 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -57.53 -27.6 62.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.568 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.6 t90 -59.68 -21.58 60.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.094 0.473 . . . . 0.0 111.295 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 58.12 -4.93 0.05 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 77.34 20.71 74.51 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.36 150.48 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.664 0.269 . . . . 0.0 110.375 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -69.16 128.61 37.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.401 ' NE ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -140.36 135.59 32.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.746 0.308 . . . . 0.0 110.443 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 325' ' ' SER . . . . . 0.442 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 51.0 m . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.649 0.261 . . . . 0.0 110.849 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 49.8 p90 . . . . . 0 C--O 1.228 -0.036 0 CA-C-O 120.684 0.278 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.79 -24.21 56.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.86 0.362 . . . . 0.0 110.766 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.89 -19.07 26.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.419 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -54.36 -27.51 36.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -60.89 -46.03 92.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.18 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -66.26 -39.8 89.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.445 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.15 98.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -63.43 -44.71 93.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.44 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -64.5 -38.0 89.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.437 . . . . 0.0 110.944 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -69.32 -42.35 75.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.221 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.974 0.416 . . . . 0.0 111.739 -179.616 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.893 0.378 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -133.88 141.5 47.4 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.536 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.43 144.75 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.303 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -95.52 113.11 24.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.054 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.3 mt -104.15 123.82 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.527 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.13 -177.54 15.07 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 61.36 29.14 18.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.565 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -102.24 140.28 36.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.216 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -68.96 135.67 51.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -56.47 -20.79 21.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.436 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.77 -31.77 73.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.564 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.91 126.47 27.43 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.2 p -97.66 174.36 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.476 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.74 -43.35 94.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.346 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.71 -39.3 97.36 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.57 -43.58 97.13 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 110.753 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.67 -43.87 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.247 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' ' OG ' ' A' ' 32' ' ' SER . 7.8 mt -57.13 -48.12 79.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.784 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.1 m -61.57 -41.77 97.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.043 0.449 . . . . 0.0 110.575 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.94 -45.66 97.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.03 -13.28 44.89 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 27.0 m -51.24 -54.56 24.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.847 0.356 . . . . 0.0 111.906 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.52 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 83.5 tt0 -62.41 -19.52 63.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CZ ' ' OD1' ' A' ' 71' ' ' ASN . 48.7 m-85 -107.94 33.57 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.42 74.98 1.21 Allowed Glycine 0 C--N 1.341 0.846 0 C-N-CA 120.304 -0.951 . . . . 0.0 111.708 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.5 p -51.87 112.71 3.43 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-O 121.361 0.6 . . . . 0.0 110.649 -177.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HG2' HD11 ' A' ' 57' ' ' LEU . 33.7 Cg_exo -55.33 160.15 9.2 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 123.225 2.616 . . . . 0.0 111.868 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.1 m -90.82 -25.04 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.592 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -169.24 151.33 4.59 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.6 146.22 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.235 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.1 mt -105.46 117.6 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.325 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -110.33 98.95 8.06 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.468 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.6 m -78.43 146.73 34.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.675 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.584 179.6 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.75 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -83.62 148.81 26.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.758 0.313 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.62 153.32 29.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -105.99 120.99 43.19 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.069 0.462 . . . . 0.0 110.11 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.618 HD23 ' C ' ' A' ' 57' ' ' LEU . 9.6 tt -100.14 122.08 42.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.51 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -91.13 121.67 33.11 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.724 0.297 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.417 ' CD2' HG22 ' A' ' 65' ' ' THR . 0.4 OUTLIER -100.52 135.21 42.31 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.782 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.31 -43.18 98.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.445 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -126.35 138.66 53.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.71 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.02 -35.56 81.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.9 -37.59 79.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.788 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -62.38 -36.57 82.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.98 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 69' ' ' VAL . 38.7 p -55.09 -30.98 60.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.348 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.44 -44.65 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.639 HD21 ' CD1' ' B' ' 311' ' ' PHE . 32.3 mt -59.79 -51.09 71.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.233 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.63 -47.78 77.27 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.075 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 75.7 t -63.64 -52.55 56.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.175 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.82 -29.85 70.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.906 0.384 . . . . 0.0 111.824 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.558 ' OD1' ' CZ ' ' A' ' 34' ' ' TYR . 23.4 t-20 -84.54 -48.91 9.08 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.443 HD12 HD22 ' A' ' 82' ' ' LEU . 4.4 mm? -77.35 -28.87 53.17 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.828 0.347 . . . . 0.0 111.478 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 51.7 t30 -68.7 116.07 8.78 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.933 0.397 . . . . 0.0 110.465 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.59 -0.65 63.36 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.4 ' CD2' HG13 ' A' ' 77' ' ' ILE . 34.3 t80 -94.2 127.25 39.93 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.794 0.331 . . . . 0.0 110.277 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -83.46 123.3 29.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.4 HG13 ' CD2' ' A' ' 75' ' ' PHE . 22.4 mt -133.3 119.29 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.408 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.45 15.28 81.14 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.72 7.88 64.29 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -141.97 151.9 42.96 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.65 0.262 . . . . 0.0 110.775 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.46 146.85 24.97 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.032 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.443 HD22 HD12 ' A' ' 72' ' ' LEU . 6.0 mp -78.16 156.47 29.85 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.548 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -127.06 101.87 6.73 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 mt -121.78 147.12 25.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.319 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -157.47 164.45 37.42 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -88.54 119.77 29.31 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.676 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.759 HG23 ' H ' ' A' ' 89' ' ' TYR . 14.9 t -109.14 -21.21 12.7 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.822 0.344 . . . . 0.0 110.577 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 42.38 31.19 0.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.653 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.759 ' H ' HG23 ' A' ' 87' ' ' THR . 36.1 t80 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.63 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.639 ' CD1' HD21 ' A' ' 67' ' ' LEU . 15.6 m-85 . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 120.978 0.418 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -111.04 25.08 12.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 313' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 67' ' ' LEU . 88.7 mt -99.46 119.75 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.885 0.374 . . . . 0.0 110.526 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.86 149.58 60.07 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.201 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.63 156.02 64.8 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 123.265 2.644 . . . . 0.0 112.002 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -102.38 163.27 16.7 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 317' ' ' SER . . . . . 0.545 ' C ' ' H ' ' B' ' 319' ' ' TRP . 96.6 p -65.32 -31.81 73.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.013 0.435 . . . . 0.0 110.679 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 318' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 318' ' ' ARG . 17.0 ttp180 -66.0 9.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.519 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.639 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.0 t90 -81.71 -5.28 57.97 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.139 0.495 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 32.5 t0 63.37 -24.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.639 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 90.86 12.54 60.39 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.548 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 30.1 m -71.97 151.68 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 110.429 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -82.2 109.96 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.141 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -129.53 109.41 11.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 109.985 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.0 t80 . . . . . 0 C--O 1.223 -0.293 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.532 ' HG3' ' HE1' ' B' ' 332' ' ' TRP . 72.7 tt0 -70.83 -30.9 67.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.107 0.479 . . . . 0.0 110.398 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -65.67 -23.64 66.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.834 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 8.3 ptmm? -48.37 -48.45 36.63 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.339 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 332' ' ' TRP . . . . . 0.589 ' CZ2' ' CD2' ' B' ' 333' ' ' PHE . 61.6 p-90 -87.24 -36.7 17.8 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.143 0.497 . . . . 0.0 110.935 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 333' ' ' PHE . . . . . 0.589 ' CD2' ' CZ2' ' B' ' 332' ' ' TRP . 0.1 OUTLIER -60.07 -36.3 77.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 334' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' B' ' 338' ' ' GLU . . . -61.4 -46.94 88.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.286 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -66.12 -34.29 77.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.687 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.91 -43.24 99.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.108 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.37 -41.59 98.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.418 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 338' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' B' ' 338' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.662 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.75 0.31 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -122.04 145.15 48.43 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.511 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.418 HD12 HD23 ' A' ' 57' ' ' LEU . 1.4 mt -97.83 116.01 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -79.11 118.53 21.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.412 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.7 mt -108.77 121.09 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.586 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.03 -178.32 15.35 Favored Glycine 0 N--CA 1.469 0.839 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 55.43 37.39 28.82 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.767 0.317 . . . . 0.0 110.674 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -104.45 144.36 31.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.395 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 59.6 t-20 -81.45 140.3 34.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.603 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 8.1 ptp180 -60.65 -17.62 48.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.643 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.17 -14.51 63.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -87.86 132.81 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.43 -175.44 2.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 110.313 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -62.8 -40.52 97.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.351 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.4 -42.34 99.12 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.7 m-20 -61.72 -44.3 97.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.665 0.269 . . . . 0.0 110.676 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.63 -44.6 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' SER . 22.7 mt -58.23 -47.31 83.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.625 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.669 HG23 ' O ' ' B' ' 319' ' ' TRP . 55.2 m -61.11 -42.97 99.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.004 0.43 . . . . 0.0 111.216 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 26' ' ' ASP . 57.3 t -59.8 -47.87 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.025 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 72' ' ' LEU . 41.6 m-85 -87.3 -13.87 42.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 0.0 111.549 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 28' ' ' LEU . 19.6 t -45.91 -58.43 3.55 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -66.49 -12.01 55.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.118 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.617 ' CE2' ' ND2' ' A' ' 71' ' ' ASN . 53.0 m-85 -113.34 33.01 5.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' C ' ' CE1' ' A' ' 59' ' ' TYR . . . 100.88 71.94 0.96 Allowed Glycine 0 C--N 1.341 0.821 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.68 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.1 p -53.95 110.41 2.06 Favored Pre-proline 0 CA--C 1.543 0.685 0 CA-C-O 121.356 0.598 . . . . 0.0 110.529 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.05 151.28 51.17 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 123.159 2.573 . . . . 0.0 112.141 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.444 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 15.8 m -92.18 -20.99 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.026 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 38' ' ' VAL . 41.8 m-20 -158.19 127.53 5.77 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.517 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -112.43 127.46 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.406 HD12 ' OH ' ' A' ' 89' ' ' TYR . 80.6 mt -101.58 119.1 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.022 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.36 130.03 56.67 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.227 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -81.0 136.4 35.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.432 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -134.25 153.58 51.78 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.853 0.359 . . . . 0.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.57 160.18 42.38 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.599 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.14 140.1 44.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.494 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 13' ' ' ILE . 2.2 tp -111.62 139.89 46.69 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.018 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -131.04 114.46 15.2 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.414 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CE1' ' C ' ' A' ' 35' ' ' GLY . 69.9 t80 -112.49 166.01 11.71 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.97 0.414 . . . . 0.0 110.121 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 60.8 mm-40 -62.7 -48.18 80.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.937 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -113.33 116.81 30.29 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.931 0.396 . . . . 0.0 111.455 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 65' ' ' THR . 24.2 pt20 -56.41 -19.49 15.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 110.68 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -63.79 -36.01 82.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -60.82 -21.83 63.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.774 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 69' ' ' VAL . 38.9 p -59.06 -34.08 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.992 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.35 -43.32 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.411 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.16 -47.68 84.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.82 90.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.964 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 65' ' ' THR . 42.7 t -56.81 -67.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.423 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -56.67 -42.74 79.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.952 0.405 . . . . 0.0 111.986 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.617 ' ND2' ' CE2' ' A' ' 34' ' ' TYR . 34.3 t30 -63.27 -45.62 90.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 84.2 mt -90.94 -16.78 27.49 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 36.2 t30 -74.4 117.04 15.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.576 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.43 6.66 68.1 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -99.67 125.93 45.6 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 110.309 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -84.96 124.73 32.01 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 79' ' ' GLY . 71.0 mt -133.24 127.88 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.2 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.32 -39.14 1.43 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 77' ' ' ILE . . . 156.25 -8.71 0.27 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -127.1 152.85 46.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.711 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.48 131.19 35.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.67 135.78 56.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.64 100.71 9.45 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.352 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mm -98.93 127.34 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -145.32 152.41 39.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -82.96 136.55 34.5 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.684 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.1 t -149.22 159.2 44.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.677 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -139.9 36.86 1.97 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.74 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.406 ' OH ' HD12 ' A' ' 41' ' ' ILE . 6.9 p90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.387 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.696 0.284 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -92.98 71.47 4.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.441 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.6 mt -71.7 125.82 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 314' ' ' MET . . . . . 0.599 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.6 pmm? -72.0 157.38 89.58 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.233 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.84 152.09 80.66 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.991 2.461 . . . . 0.0 112.275 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -104.33 164.42 14.87 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 317' ' ' SER . . . . . 0.491 ' C ' ' H ' ' B' ' 319' ' ' TRP . 42.5 t -62.44 -43.31 99.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.928 0.394 . . . . 0.0 110.791 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -65.88 6.04 0.41 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.669 ' O ' HG23 ' A' ' 29' ' ' THR . 23.0 t90 -68.51 -21.57 64.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.241 0.543 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 22.5 t0 67.23 -33.5 0.21 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.7 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 109.61 12.73 18.36 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.531 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 83.9 t -86.62 123.64 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.172 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 124.43 30.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.344 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -139.29 107.32 5.71 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.752 0.31 . . . . 0.0 110.226 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 87.0 p . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.582 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.0 t80 . . . . . 0 C--O 1.226 -0.148 0 CA-C-O 121.033 0.444 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 47.2 mt-10 -58.09 -20.4 39.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.392 0.615 . . . . 0.0 111.052 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -54.58 -20.31 7.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.701 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.475 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.0 OUTLIER -56.35 -62.8 1.47 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.419 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 332' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' B' ' 329' ' ' GLU . 49.0 p-90 -70.12 -26.19 63.84 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 110.593 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -74.59 -40.3 61.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.184 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.05 96.65 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -65.77 -38.97 90.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.638 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -61.03 -43.02 99.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.342 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -76.05 -26.48 56.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.179 0.514 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 . . . . . 0 C--N 1.322 -0.613 0 CA-C-O 120.992 0.425 . . . . 0.0 111.033 -179.668 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -123.72 138.09 54.58 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.755 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.5 pt -130.2 154.66 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.945 0.402 . . . . 0.0 110.318 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -94.89 125.95 39.89 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.725 HD11 HD11 ' A' ' 57' ' ' LEU . 58.3 mt -120.49 103.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.05 177.18 16.38 Favored Glycine 0 N--CA 1.47 0.964 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.456 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 28.0 t-20 61.05 42.23 12.81 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.844 0.354 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.404 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -105.2 157.49 17.25 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.183 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -82.6 138.98 34.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.258 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -59.61 -24.58 63.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -62.08 -28.48 69.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.633 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.3 mp -72.29 127.14 31.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -107.02 -171.87 1.97 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.54 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.9 -42.28 93.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.02 98.71 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 30' ' ' VAL . 96.5 m-20 -62.56 -44.42 96.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.844 0.355 . . . . 0.0 110.774 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.59 -45.46 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 32' ' ' SER . 25.0 mt -61.33 -47.33 86.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.539 HG23 ' O ' ' B' ' 319' ' ' TRP . 17.1 m -61.97 -40.89 97.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 0.0 111.108 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 26' ' ' ASP . 73.3 t -61.88 -50.62 79.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.738 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -87.5 -15.44 37.57 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.106 0.479 . . . . 0.0 111.751 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.0 t -45.94 -55.62 6.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.75 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.504 ' OE1' ' CE2' ' B' ' 319' ' ' TRP . 24.4 pt-20 -64.1 -11.86 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -112.77 33.99 4.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.4 69.89 0.99 Allowed Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.022 -1.085 . . . . 0.0 111.362 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 36' ' ' VAL . 4.7 p -55.54 127.93 67.23 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.922 -177.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.6 161.84 41.19 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 123.569 2.846 . . . . 0.0 111.756 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.425 ' H ' HG22 ' A' ' 38' ' ' VAL . 15.7 m -88.81 -13.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.715 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -168.72 148.46 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.789 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 40' ' ' VAL . 5.1 m -123.32 130.09 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -94.76 112.32 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.538 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mp -115.89 96.26 5.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.503 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.4 t -74.39 132.77 42.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.125 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.8 mtt-85 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 120.824 0.345 . . . . 0.0 110.92 -179.709 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -151.74 151.3 31.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.717 0.294 . . . . 0.0 110.612 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.65 163.1 35.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.739 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -136.72 122.21 19.55 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.839 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.884 HD12 ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -106.11 138.35 42.45 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.764 0.316 . . . . 0.0 110.307 -179.769 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -84.27 105.14 14.89 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.77 138.29 37.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.59 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 36' ' ' VAL . 45.7 mp0 -70.49 -43.24 70.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.35 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -119.25 124.91 47.88 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.117 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.56 -34.59 77.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.504 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' N ' ' CD ' ' A' ' 63' ' ' ARG . 11.6 mpt_? -59.18 -33.06 70.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.313 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.1 t -59.56 -37.87 79.6 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.755 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.7 p -57.2 -33.57 67.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.683 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.06 -40.36 88.73 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 CA-C-O 120.987 0.422 . . . . 0.0 110.419 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' B' ' 311' ' ' PHE . 44.1 mt -69.5 -38.34 77.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.939 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.72 87.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.026 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG23 ' N ' ' A' ' 70' ' ' ASP . 25.7 m -74.7 -42.76 47.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 121.238 0.542 . . . . 0.0 111.058 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.516 ' N ' HG23 ' A' ' 69' ' ' VAL . 98.3 m-20 -59.08 -15.99 16.83 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.619 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -116.63 -49.07 2.66 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -78.75 -21.93 47.22 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 64.7 t30 -68.69 118.51 11.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.0 0.429 . . . . 0.0 110.523 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.58 10.34 67.74 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -104.14 117.28 33.88 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -67.61 125.89 27.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.771 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.2 tt -137.09 131.86 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.611 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.39 23.97 73.56 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.91 0.56 90.32 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.29 150.57 47.88 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.864 0.364 . . . . 0.0 110.655 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.05 120.02 33.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.591 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.63 151.82 34.16 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.486 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -110.39 115.81 30.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.441 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.502 ' CG2' HG12 ' A' ' 69' ' ' VAL . 1.3 mm -106.57 128.32 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.138 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 43.7 t0 -156.54 145.46 20.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.722 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.484 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -70.49 141.61 51.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.166 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 87' ' ' THR . 10.0 t -129.81 126.27 37.68 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.754 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -76.22 7.42 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.383 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 -179.862 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.183 0 CA-C-O 120.893 0.378 . . . . 0.0 110.085 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -137.65 70.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.365 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 83.3 mt -93.78 128.37 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.717 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 25.8 mmt -83.78 147.97 53.2 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.66 154.74 59.52 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 123.195 2.597 . . . . 0.0 112.14 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -99.44 173.89 26.58 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 69.0 m -68.78 -28.9 67.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.367 . . . . 0.0 110.642 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -58.93 -16.78 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.709 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.539 ' O ' HG23 ' A' ' 29' ' ' THR . 20.9 t90 -60.07 -25.25 65.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.107 0.479 . . . . 0.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 24.0 t0 65.79 -11.47 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 80.93 13.68 80.82 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.452 ' CG1' HG22 ' A' ' 29' ' ' THR . 9.6 p -53.96 151.88 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 120.677 0.275 . . . . 0.0 110.815 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.86 106.2 3.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.958 0.408 . . . . 0.0 110.677 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -137.97 149.66 46.33 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.527 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 99.0 p . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.899 179.675 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 37.2 t80 . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.768 0.318 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -56.64 -19.6 17.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -48.21 -34.88 10.84 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.447 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -28.74 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.275 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 332' ' ' TRP . . . . . 0.64 ' CH2' ' NE2' ' B' ' 336' ' ' GLN . 18.1 t90 -62.61 -44.78 95.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.134 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.27 -39.36 86.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.247 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.693 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.85 -42.37 99.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.51 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 336' ' ' GLN . . . . . 0.64 ' NE2' ' CH2' ' B' ' 332' ' ' TRP . 87.1 mt-30 -61.87 -43.23 99.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -65.75 -39.99 91.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.786 -179.445 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 12' ' ' TYR . . . . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.829 0.347 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' A' ' 11' ' ' ALA . 15.0 m-85 -158.4 136.0 10.32 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -118.44 130.08 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.761 0.315 . . . . 0.0 110.16 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -88.22 127.97 35.45 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.816 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.8 mt -121.27 108.55 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.138 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.98 174.39 15.55 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 57.4 40.03 27.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.761 0.315 . . . . 0.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.9 155.03 18.95 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.371 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -80.81 128.63 33.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.327 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -61.05 -22.58 64.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.37 -27.61 68.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.3 mp -77.99 128.93 34.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.2 p -96.04 -178.25 4.28 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -61.96 -42.18 98.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.409 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.32 -42.08 99.68 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -63.77 -47.27 81.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.759 0.314 . . . . 0.0 110.707 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.28 -43.26 97.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.584 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' SER . 18.2 mt -55.73 -45.94 77.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.401 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.604 HG23 ' O ' ' B' ' 319' ' ' TRP . 84.4 m -62.61 -40.74 97.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.412 . . . . 0.0 111.104 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.09 -48.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -86.8 -14.82 41.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.391 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LEU . 14.3 t -47.73 -57.53 5.44 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 34' ' ' TYR . 20.8 pt-20 -66.62 -11.77 55.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.496 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.521 ' CZ ' ' OD1' ' A' ' 71' ' ' ASN . 20.3 m-85 -114.04 33.62 5.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.33 70.51 0.89 Allowed Glycine 0 C--N 1.341 0.816 0 C-N-CA 120.147 -1.025 . . . . 0.0 111.631 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.3 p -56.9 122.52 53.17 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-O 120.987 0.422 . . . . 0.0 110.635 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.16 159.11 44.64 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 123.013 2.475 . . . . 0.0 112.38 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.4 m -98.53 -12.64 8.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.135 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -159.64 133.59 7.4 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 t -126.79 127.6 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -93.39 120.3 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 120.872 0.368 . . . . 0.0 110.724 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 42' ' ' LEU . 4.0 mm? -100.35 97.79 8.51 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.99 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -76.2 154.78 35.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.721 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.576 179.6 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.902 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -142.32 148.92 38.77 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.719 0.295 . . . . 0.0 110.571 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.59 166.73 31.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.632 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -113.21 135.92 53.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.791 0.329 . . . . 0.0 110.623 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.35 133.51 50.93 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.193 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -114.75 110.05 19.13 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.697 0.284 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.522 ' CD2' ' OG ' ' A' ' 64' ' ' SER . 70.6 t80 -110.66 170.82 7.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.882 0.372 . . . . 0.0 110.084 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 39.2 tp10 -71.44 -56.68 5.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -109.82 122.56 47.79 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.944 0.402 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.402 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 13.9 pm0 -58.4 -14.93 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.275 0.56 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 mtm-85 -69.74 -26.0 64.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.522 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 92.7 p -67.61 -19.14 65.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.052 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 69' ' ' VAL . 76.6 p -60.36 -27.11 67.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.0 -39.01 79.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.373 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' B' ' 311' ' ' PHE . 13.1 mt -58.62 -63.45 1.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.499 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.0 89.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.986 0.422 . . . . 0.0 112.0 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 65' ' ' THR . 40.6 t -53.97 -53.67 26.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 59.8 p30 -87.61 -11.27 49.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.521 ' OD1' ' CZ ' ' A' ' 34' ' ' TYR . 25.3 t-20 -94.05 -34.54 12.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.41 HD12 HD21 ' A' ' 82' ' ' LEU . 3.8 mm? -97.92 -27.92 14.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.678 0.275 . . . . 0.0 111.413 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -63.54 129.85 41.9 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.783 0.325 . . . . 0.0 110.534 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.34 3.17 67.42 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' B' ' 325' ' ' SER . 37.9 t80 -106.6 125.33 50.87 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 110.09 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -87.85 131.53 34.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.364 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.7 mt -131.64 126.34 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 120.797 0.332 . . . . 0.0 110.804 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.19 24.78 70.69 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.424 ' O ' ' CZ ' ' A' ' 80' ' ' ARG . . . 89.11 -10.53 72.63 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.424 ' CZ ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -125.66 146.48 49.71 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.423 -179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.58 126.68 45.61 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.663 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -73.04 150.97 41.93 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.899 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -110.85 123.91 51.04 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.48 113.32 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -131.2 143.94 50.97 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.844 0.354 . . . . 0.0 110.537 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' NE2' HG21 ' A' ' 69' ' ' VAL . 17.6 m-70 -74.52 144.3 44.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.373 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 p -117.64 176.65 5.08 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.259 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 70.3 t80 -159.69 31.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.62 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.0 p90 . . . . . 0 N--CA 1.467 0.378 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.344 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.421 ' CD1' HD21 ' A' ' 67' ' ' LEU . 75.5 m-85 . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.51 25.94 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 96.0 mt -97.04 117.55 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.4 mmt -92.96 146.83 32.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.9 138.84 41.68 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.775 2.317 . . . . 0.0 112.186 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -88.76 176.37 44.34 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 93.8 p -64.36 -23.77 67.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.69 -18.08 63.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' THR . 17.4 t90 -59.83 -20.59 57.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 30.7 t0 64.24 -27.61 0.09 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.422 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.595 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 110.02 10.59 22.27 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.574 ' C ' ' HE1' ' B' ' 319' ' ' TRP . 53.6 t -109.2 117.1 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-O 120.715 0.293 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -112.9 147.2 37.54 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.758 0.313 . . . . 0.0 110.736 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -98.45 127.76 44.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.106 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 325' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 75' ' ' PHE . 36.6 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.597 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 55.5 p90 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.746 0.308 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.55 -21.0 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.632 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -51.81 -18.78 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.629 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -54.01 -27.97 35.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -62.24 -50.62 71.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.393 . . . . 0.0 110.271 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -65.37 -38.13 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.055 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.8 95.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.77 -43.45 98.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.027 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -61.97 -42.26 98.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -70.88 -42.47 69.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 -179.84 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.669 0.271 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -122.08 148.96 44.22 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.918 0.389 . . . . 0.0 110.671 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 13' ' ' ILE . 2.0 mt -99.91 114.41 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -76.25 120.97 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.623 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.1 mt -116.82 120.95 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.167 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.77 -179.58 18.97 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.553 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER 63.91 22.69 13.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.812 HD23 ' H ' ' A' ' 18' ' ' LEU . 2.0 pt? -102.19 151.26 22.41 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.124 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -73.95 135.38 43.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -60.79 -18.21 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.626 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -62.93 -31.98 73.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.84 123.66 18.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.08 0.467 . . . . 0.0 110.328 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -88.69 171.08 10.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.577 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.94 -40.2 94.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.183 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.23 98.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 30' ' ' VAL . 65.7 t0 -60.76 -46.41 90.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.712 0.292 . . . . 0.0 110.618 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.78 -43.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.246 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.4 -43.18 83.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.161 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.599 ' CG2' HH21 ' B' ' 324' ' ' ARG . 86.3 m -62.94 -39.92 96.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.407 . . . . 0.0 110.43 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.466 HG22 ' NH1' ' B' ' 324' ' ' ARG . 80.3 t -64.26 -47.93 87.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.489 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.446 ' CD2' HD22 ' A' ' 57' ' ' LEU . 50.3 m-85 -82.93 -13.63 55.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.889 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.4 p -45.03 -59.33 2.65 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.547 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 12.3 pt-20 -72.85 -27.36 61.88 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.263 0.554 . . . . 0.0 112.143 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -92.89 35.38 1.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.266 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.53 69.93 0.93 Allowed Glycine 0 C--N 1.341 0.827 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.543 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.3 p -55.84 120.61 34.42 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.784 -177.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -75.91 157.82 38.81 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 123.209 2.606 . . . . 0.0 112.569 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -93.67 -14.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.225 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 64.0 t0 -163.28 136.71 5.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.678 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.431 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 65.6 t -126.48 130.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.486 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.5 mt -108.34 126.28 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.778 0.323 . . . . 0.0 110.998 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.78 142.95 37.02 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.232 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -59.09 154.91 14.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.427 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.783 -179.502 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -144.09 153.99 42.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.727 0.299 . . . . 0.0 110.59 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.65 164.02 39.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.672 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.469 ' CD2' ' CD2' ' A' ' 89' ' ' TYR . 84.7 m-85 -126.75 141.23 51.89 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.446 HD22 ' CD2' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -112.84 140.27 47.77 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.945 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -130.38 109.39 10.7 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.243 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -115.12 158.2 22.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 120.811 0.338 . . . . 0.0 110.244 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.65 -43.56 93.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.454 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -103.16 143.6 32.4 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -88.25 -12.83 42.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.086 0.47 . . . . 0.0 110.363 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -68.06 -30.59 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.794 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.7 p -62.5 -22.89 66.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.972 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 69' ' ' VAL . 62.8 p -61.33 -37.52 83.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.4 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.09 -45.12 91.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.001 0.429 . . . . 0.0 110.577 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.625 HD11 ' CD1' ' B' ' 311' ' ' PHE . 17.6 mt -64.42 -53.42 48.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.752 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.26 -37.58 67.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.805 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 65' ' ' THR . 52.2 t -60.95 -69.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.214 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 57.0 t0 -59.27 -33.1 70.65 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 23.6 m120 -67.77 -39.83 84.09 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.4 mt -107.33 -11.16 15.61 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 34.9 t30 -70.37 121.24 17.32 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 122.137 -0.352 . . . . 0.0 110.588 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.01 3.69 87.55 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -93.92 119.02 32.27 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -67.96 121.95 17.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.831 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 77' ' ' ILE . 15.5 tt -141.53 128.31 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.464 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.59 16.38 77.68 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.57 -8.02 79.2 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -136.98 159.58 41.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.609 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.94 129.02 45.24 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -84.76 155.0 22.04 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.24 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -111.48 122.41 47.77 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.425 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.3 mm -106.74 118.33 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.058 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -142.07 144.76 33.73 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.802 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -75.67 144.17 41.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.815 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.5 t -152.95 144.23 23.21 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.777 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -88.41 16.53 6.31 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.349 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.469 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 59.8 t80 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.474 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.625 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.68 79.73 6.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.264 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 31.0 mm -60.99 126.95 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.52 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 314' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.8 OUTLIER -74.81 149.69 85.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.171 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.13 155.78 66.98 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.902 2.401 . . . . 0.0 112.071 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -116.01 161.55 12.88 Favored Glycine 0 N--CA 1.47 0.929 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 47.9 t -61.99 -42.16 98.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.003 0.43 . . . . 0.0 111.032 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -62.28 -4.56 1.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.557 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 17.7 t90 -68.19 -5.95 20.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.284 0.564 . . . . 0.0 110.99 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 54.12 2.08 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.004 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 69.28 19.73 74.47 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.545 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 84.0 t -80.54 132.9 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.737 0.303 . . . . 0.0 110.595 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -69.04 129.65 40.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.839 0.352 . . . . 0.0 111.016 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.599 HH21 ' CG2' ' A' ' 29' ' ' THR . 37.2 mmt180 -127.06 109.45 11.89 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 CA--C 1.516 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.709 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 54.5 p90 . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -63.32 -20.32 65.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.0 -28.94 59.43 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.817 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -54.48 -28.81 47.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.395 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -60.85 -45.75 93.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.144 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -63.93 -39.05 93.27 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.253 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.57 93.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.67 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -62.84 -47.92 81.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.616 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -62.47 -42.93 99.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -65.13 -37.59 87.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.926 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.738 -179.508 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.617 ' N ' HE21 ' A' ' 62' ' ' GLN . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.78 0.324 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.576 ' C ' ' HG1' ' A' ' 87' ' ' THR . 59.7 m-85 -121.74 153.17 38.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.613 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.3 pt -129.79 147.61 33.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.525 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -96.05 129.61 43.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.425 ' CD1' HD13 ' A' ' 57' ' ' LEU . 78.8 mt -122.12 119.22 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.414 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.29 -177.65 21.11 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 32.5 t-20 65.83 23.23 11.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.743 0.306 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.83 HD23 ' H ' ' A' ' 18' ' ' LEU . 1.8 pt? -105.23 159.88 15.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -69.92 128.87 37.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.47 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -63.53 -19.38 64.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.43 -29.52 70.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.2 mp -70.96 123.38 21.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.8 p -91.19 -174.34 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.479 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -60.36 -39.73 88.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.18 98.47 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 30' ' ' VAL . 97.0 m-20 -62.86 -41.42 99.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.618 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.23 -41.56 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.531 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' O ' ' OG ' ' A' ' 32' ' ' SER . 77.3 mt -58.6 -48.29 81.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.613 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m -62.11 -40.12 94.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.674 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.578 HG22 ' HE ' ' B' ' 324' ' ' ARG . 53.3 t -62.82 -50.88 77.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -87.54 -14.17 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 110.855 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.539 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 2.1 m -46.25 -60.22 2.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.072 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' OE1' ' NE1' ' B' ' 319' ' ' TRP . 11.7 pt-20 -65.87 -12.24 52.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.75 -177.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.699 ' CE1' ' ND2' ' A' ' 71' ' ' ASN . 55.3 m-85 -112.5 34.57 4.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.76 71.42 0.98 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 36' ' ' VAL . 6.9 p -55.47 120.79 33.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.619 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -76.33 157.93 37.1 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 123.021 2.481 . . . . 0.0 112.216 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.7 m -92.24 -14.79 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.463 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -158.94 146.54 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.427 HG12 ' CD2' ' A' ' 42' ' ' LEU . 21.2 t -134.29 128.9 52.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -93.48 111.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 40' ' ' VAL . 4.0 mm? -102.74 100.58 10.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.431 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 m -85.12 145.61 27.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -148.24 134.71 19.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.73 162.56 38.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.554 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -116.5 146.01 42.89 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 15' ' ' ILE . 1.7 tp -107.96 140.59 40.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.614 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -127.19 102.24 6.85 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.547 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 60' ' ' GLU . 5.6 t80 -121.61 145.17 48.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.603 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.544 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 51.6 tp10 -57.93 -49.63 76.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.731 -178.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -83.94 126.3 32.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.617 HE21 ' N ' ' A' ' 11' ' ' ALA . 92.3 mt-30 -85.84 -38.35 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -62.32 -28.28 69.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -64.62 -36.01 82.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.8 p -56.61 -22.97 37.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.549 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.69 -42.24 84.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.677 HD21 ' CD1' ' B' ' 311' ' ' PHE . 5.7 mp -63.03 -46.95 85.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.624 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.61 -38.32 66.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.539 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 75.2 t -65.08 -69.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.727 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 51.9 t0 -59.51 -16.21 23.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.847 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.699 ' ND2' ' CE1' ' A' ' 34' ' ' TYR . 84.9 m-20 -89.33 -50.51 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.019 -177.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.69 20.05 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.842 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 7.6 t-20 -81.82 106.8 14.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.488 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.25 -0.95 86.82 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.62 ' CZ ' ' O ' ' B' ' 325' ' ' SER . 48.9 t80 -66.72 128.5 36.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.366 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -81.39 128.84 34.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.6 mt -143.5 109.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.26 16.3 76.63 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.85 -4.34 63.22 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -123.18 148.25 45.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.785 0.326 . . . . 0.0 110.659 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -96.56 135.65 38.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.17 147.12 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.593 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -120.03 101.2 7.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.481 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mm -98.66 136.96 27.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.399 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -156.84 157.29 34.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.54 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -81.87 151.63 27.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.576 ' HG1' ' C ' ' A' ' 12' ' ' TYR . 56.8 p -128.9 -51.27 1.23 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.687 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 55.74 25.05 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.482 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 89' ' ' TYR . 3.1 p90 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.634 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.677 ' CD1' HD21 ' A' ' 67' ' ' LEU . 75.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.686 0.279 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -93.28 4.36 54.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 85.6 mt -74.58 117.93 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.595 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 314' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.0 OUTLIER -95.55 155.1 39.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.82 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -55.1 141.9 78.61 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 123.056 2.504 . . . . 0.0 111.999 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -96.16 162.56 22.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 94.8 p -62.77 -25.19 68.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 0.0 110.661 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -68.38 -14.93 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.618 ' C ' ' H ' ' B' ' 321' ' ' GLY . 18.9 t90 -63.36 -11.13 20.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.627 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 46.2 t0 58.82 -5.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.664 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 78.55 13.26 83.39 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.536 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 43.8 t -70.96 127.57 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.476 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -69.12 132.33 46.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.667 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.578 ' HE ' HG22 ' A' ' 30' ' ' VAL . 69.7 mmt-85 -135.95 115.77 13.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.441 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 325' ' ' SER . . . . . 0.62 ' O ' ' CZ ' ' A' ' 75' ' ' PHE . 27.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.656 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 20.7 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.826 0.346 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -57.56 -25.45 59.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -53.58 -28.3 31.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.59 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -32.73 55.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.586 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -61.17 -46.98 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.648 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.39 -38.55 91.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.471 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.05 91.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -63.58 -45.2 91.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -63.61 -40.01 95.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -60.26 -41.95 94.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.66 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.858 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -131.8 160.35 35.84 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.559 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 pt -135.42 143.98 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.249 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.489 ' N ' ' OG1' ' A' ' 87' ' ' THR . 66.6 t80 -93.91 120.91 34.8 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -112.6 118.88 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.96 -178.46 15.42 Favored Glycine 0 N--CA 1.468 0.795 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 53.67 41.51 32.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.73 0.3 . . . . 0.0 110.422 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -98.46 156.97 16.51 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.313 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.424 ' HB3' HD13 ' A' ' 22' ' ' LEU . 39.2 t-20 -73.89 146.97 43.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -65.58 -40.62 92.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.558 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.89 -30.16 71.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.675 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -55.88 113.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.45 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.9 p -95.93 -179.52 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.435 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -60.7 -44.15 96.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.273 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.28 -42.23 99.72 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.459 ' O ' HG23 ' A' ' 30' ' ' VAL . 99.2 m-20 -61.0 -42.64 98.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 0.0 110.697 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.72 -43.48 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.503 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 32' ' ' SER . 14.1 mt -58.19 -46.12 86.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.413 HG23 ' O ' ' B' ' 319' ' ' TRP . 87.4 m -61.61 -40.23 94.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.057 0.456 . . . . 0.0 111.294 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 26' ' ' ASP . 76.4 t -59.89 -50.02 81.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -90.1 -13.32 36.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.107 0.479 . . . . 0.0 111.386 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.2 t -44.55 -56.73 4.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.808 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 16.3 tm-20 -63.27 -26.44 68.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.0 111.198 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -94.52 33.93 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.274 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.97 71.97 1.11 Allowed Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.172 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 36' ' ' VAL . 9.3 p -55.34 129.82 68.94 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.964 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.46 162.48 41.31 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 123.407 2.738 . . . . 0.0 111.638 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -90.33 -14.42 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.516 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -167.33 149.5 5.94 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.428 HG13 HD12 ' A' ' 57' ' ' LEU . 94.5 t -131.5 128.73 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.167 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.6 mt -103.5 113.84 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.977 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 mt -113.05 101.33 9.36 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.035 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.6 m -86.27 148.58 25.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.722 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.1 ptt85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.47 179.612 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.791 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -82.62 154.03 25.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.827 0.346 . . . . 0.0 110.446 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.03 156.79 36.56 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -122.05 124.72 44.63 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.883 0.373 . . . . 0.0 110.19 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.428 HD12 HG13 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -100.99 133.68 45.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.621 -179.609 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -96.19 103.53 15.43 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.839 0.352 . . . . 0.0 110.347 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.93 131.73 37.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.434 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.16 -41.45 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.455 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -109.24 130.51 55.49 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -75.11 -27.06 59.71 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.729 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -78.52 -33.13 48.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.727 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.1 t -61.99 -38.17 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.634 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.612 ' O ' HG23 ' A' ' 69' ' ' VAL . 60.7 p -47.5 -29.5 2.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.59 -41.81 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.715 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.728 HD21 ' CD1' ' B' ' 311' ' ' PHE . 83.1 mt -58.59 -50.39 73.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.142 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.56 93.1 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 65' ' ' THR . 54.0 t -49.9 -70.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.304 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.96 -38.25 81.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 111.947 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 98.6 m-20 -65.21 -43.79 90.42 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 72' ' ' LEU . 4.1 mm? -95.65 -22.22 17.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.852 0.358 . . . . 0.0 111.564 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 19.8 t-20 -62.65 117.69 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 0.0 110.654 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.77 -9.71 76.25 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.525 ' CE1' ' CB ' ' B' ' 325' ' ' SER . 66.1 t80 -77.37 125.63 29.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.594 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -79.21 123.8 27.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.838 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 77' ' ' ILE . 13.3 tt -138.03 130.16 39.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.439 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.89 11.95 70.38 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.12 -20.01 52.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -118.5 140.62 49.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.938 0.399 . . . . 0.0 110.456 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.21 131.03 35.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.63 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -92.07 156.19 17.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.384 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -123.86 122.02 36.89 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.96 126.19 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.903 0.382 . . . . 0.0 110.522 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -132.17 158.2 42.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -67.91 137.73 55.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.568 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.489 ' OG1' ' N ' ' A' ' 14' ' ' TYR . 21.7 m -133.4 129.97 38.09 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.038 0.447 . . . . 0.0 110.231 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -100.15 31.92 3.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.446 ' H ' HG22 ' A' ' 87' ' ' THR . 66.7 t80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.469 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.728 ' CD1' HD21 ' A' ' 67' ' ' LEU . 12.9 m-85 . . . . . 0 N--CA 1.459 -0.008 0 CA-C-O 120.78 0.324 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -153.9 45.68 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.513 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 13.0 mm -76.47 122.03 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.259 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.1 mtm -75.85 153.67 85.01 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.329 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.07 141.07 69.69 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.989 2.459 . . . . 0.0 112.181 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -84.34 149.1 24.61 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 74.0 m -64.45 -38.84 92.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.937 0.398 . . . . 0.0 110.624 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.53 2.01 8.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.557 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.8 t90 -60.69 -14.83 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.138 0.494 . . . . 0.0 111.123 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 53.97 2.13 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 72.01 16.55 76.67 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.523 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 72.6 t -74.24 141.25 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 110.658 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -68.13 145.41 54.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.53 ' HD2' ' H ' ' B' ' 324' ' ' ARG . 0.1 OUTLIER -139.08 151.71 46.94 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.565 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 325' ' ' SER . . . . . 0.525 ' CB ' ' CE1' ' A' ' 75' ' ' PHE . 97.4 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.714 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.827 0.346 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -58.9 -20.97 56.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.8 -28.49 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.589 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -52.34 -36.51 53.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -62.78 -44.67 95.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -64.76 -35.68 81.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -58.75 -47.07 85.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -67.23 -37.37 83.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.287 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.69 -42.71 97.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.559 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -68.27 -36.06 78.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.936 0.398 . . . . 0.0 110.748 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.224 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.84 0.353 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -134.28 140.84 46.7 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.682 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.87 119.32 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 85' ' ' ASP . 85.2 t80 -82.75 122.48 28.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.202 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 1.006 HD11 HD12 ' A' ' 57' ' ' LEU . 80.1 mt -109.77 126.48 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.491 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.22 172.17 22.52 Favored Glycine 0 N--CA 1.468 0.787 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 55.27 37.86 29.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.8 0.333 . . . . 0.0 110.54 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -94.72 145.12 25.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -81.12 138.72 35.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -59.23 -21.3 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.654 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -66.33 -21.78 66.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -85.08 124.59 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.368 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -106.89 -171.81 1.96 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.97 -42.15 99.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.489 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.0 -41.15 98.7 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -62.25 -42.36 99.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.95 -41.59 90.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.388 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.34 -43.98 88.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.447 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.6 m -62.07 -42.75 99.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.457 HG22 ' CZ ' ' B' ' 324' ' ' ARG . 76.3 t -60.86 -50.76 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.022 0.439 . . . . 0.0 111.64 -178.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE2' HD13 ' A' ' 57' ' ' LEU . 30.0 m-85 -77.1 -18.63 57.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.213 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' B' ' 319' ' ' TRP . 8.8 t -64.77 -17.26 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.133 0.492 . . . . 0.0 111.975 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.85 -35.7 79.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.061 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -123.74 41.3 3.52 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.2 81.96 1.39 Allowed Glycine 0 N--CA 1.477 1.414 0 C-N-CA 119.626 -1.273 . . . . 0.0 113.075 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.473 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 15.0 p -55.63 133.37 71.7 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-O 121.006 0.431 . . . . 0.0 110.517 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.8 149.13 85.17 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 123.068 2.512 . . . . 0.0 112.302 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.7 p -92.8 -25.61 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.896 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 66.2 t0 -153.6 130.78 11.14 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 21.0 t -124.22 129.33 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.408 ' C ' HD22 ' A' ' 42' ' ' LEU . 77.1 mt -105.38 121.17 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 120.925 0.393 . . . . 0.0 110.944 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 4.1 mm? -100.34 108.76 20.88 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.9 t -74.56 113.63 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 120.872 0.367 . . . . 0.0 110.455 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -167.32 160.79 13.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.744 0.307 . . . . 0.0 110.695 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.64 165.55 35.19 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.798 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -115.73 142.6 46.53 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.006 HD12 HD11 ' A' ' 15' ' ' ILE . 1.5 mt -118.66 131.41 56.16 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.501 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -131.06 113.3 13.76 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.19 0.306 . . . . 0.0 110.532 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 16.5 t80 -115.94 146.74 41.83 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.313 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -53.46 -19.03 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -120.55 121.93 39.47 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.857 0.36 . . . . 0.0 110.727 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -77.79 -21.08 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.783 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -62.69 -29.25 70.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -59.56 -31.01 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.574 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.4 p -60.45 -36.19 77.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.525 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.08 -48.43 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.675 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.525 ' CD1' HD12 ' B' ' 313' ' ' ILE . 34.1 mt -64.09 -38.01 89.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.004 0.431 . . . . 0.0 110.574 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.44 65.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.324 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.53 -19.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.043 0.449 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 52.8 t0 -71.54 -32.59 68.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -116.02 -40.0 3.37 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.94 -26.1 56.56 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -67.74 121.12 15.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.934 0.397 . . . . 0.0 110.461 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.35 11.6 84.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -104.46 133.0 50.07 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.775 0.322 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -79.82 112.73 17.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.62 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 77' ' ' ILE . 1.2 tp -96.47 118.64 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.538 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 77' ' ' ILE . . . 24.01 57.03 0.05 OUTLIER Glycine 0 N--CA 1.474 1.228 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.34 -113.94 1.23 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -91.54 171.12 9.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.817 0.342 . . . . 0.0 110.974 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.11 138.6 34.74 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.027 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -89.51 154.14 20.25 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.113 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -99.51 117.74 34.56 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.9 mm -111.69 126.14 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.1 t0 -157.94 149.79 21.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.685 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -83.51 151.0 25.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.264 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 t -146.08 157.04 43.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -104.19 11.82 34.55 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.242 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 32.7 t80 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.827 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.226 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -79.48 89.67 5.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 313' ' ' ILE . . . . . 0.525 HD12 ' CD1' ' A' ' 67' ' ' LEU . 65.1 mt -90.61 133.08 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 15.2 mmt -61.67 144.01 93.31 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.44 157.4 56.55 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.939 2.426 . . . . 0.0 112.188 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -93.99 153.47 21.17 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 71.0 m -62.07 -38.17 87.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 0.0 110.782 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -58.55 -13.64 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.546 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 19.7 t90 -61.66 -16.4 48.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.228 0.537 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 55.29 1.67 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 70.48 21.41 77.55 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 44.0 t -68.47 147.22 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.318 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -68.53 111.29 4.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.457 ' CZ ' HG22 ' A' ' 30' ' ' VAL . 39.8 mmt180 -134.05 149.84 51.17 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.878 0.37 . . . . 0.0 110.226 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 17.2 t . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.692 -179.897 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 C--O 1.226 -0.178 0 CA-C-O 121.054 0.454 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' B' ' 329' ' ' GLU . 48.2 mp0 -60.15 -19.5 54.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.061 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 330' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' B' ' 331' ' ' LYS . 21.1 pt-20 -43.76 -41.75 5.09 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.95 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' B' ' 330' ' ' GLU . 11.0 ptpt -71.3 -33.84 70.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.394 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -62.16 -47.41 84.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -64.19 -38.75 92.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.252 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.46 96.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -62.03 -41.77 98.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.196 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -64.43 -39.14 93.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 110.159 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -62.78 -39.03 92.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.073 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.727 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.825 0.345 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -130.15 161.41 31.18 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.506 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -136.56 131.01 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.136 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -91.33 130.66 37.16 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.495 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.86 HD11 HD12 ' A' ' 57' ' ' LEU . 60.4 mt -109.61 123.84 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.87 172.83 17.09 Favored Glycine 0 N--CA 1.467 0.726 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 54.38 38.55 29.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.876 0.37 . . . . 0.0 110.764 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.35 141.81 35.66 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.538 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -78.45 140.97 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.26 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.28 -24.71 66.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.18 -29.1 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.4 132.13 47.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -107.34 170.91 7.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.12 -41.24 96.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.33 -43.22 98.71 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.65 -44.73 95.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.788 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.49 -43.92 97.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.489 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 32' ' ' SER . 15.4 mt -57.14 -43.74 82.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.297 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.415 HG23 ' O ' ' B' ' 319' ' ' TRP . 94.4 m -63.06 -40.4 97.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.87 0.367 . . . . 0.0 110.499 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.3 -48.8 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.022 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -85.87 -14.59 44.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.213 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' LEU . 4.1 t -44.92 -53.86 7.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.72 -178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -66.88 -38.24 85.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 111.676 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -81.51 33.52 0.36 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.566 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' CZ ' ' A' ' 59' ' ' TYR . . . 96.09 74.05 1.2 Allowed Glycine 0 N--CA 1.465 0.59 0 C-N-CA 119.962 -1.113 . . . . 0.0 111.185 -179.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.1 p -53.24 126.11 44.29 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 121.082 0.467 . . . . 0.0 111.021 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.9 162.4 37.39 Favored 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 123.323 2.682 . . . . 0.0 112.332 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -90.91 -16.17 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -165.52 156.8 14.18 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.93 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 t -134.06 137.04 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.1 mt -115.91 118.98 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -113.79 127.76 56.14 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.4 m -70.06 132.24 45.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.705 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.527 179.825 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -121.57 149.68 42.78 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.144 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.5 140.62 15.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -121.19 125.08 46.26 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.136 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.86 HD12 HD11 ' A' ' 15' ' ' ILE . 3.8 mt -92.07 143.44 26.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.056 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -108.44 101.71 10.87 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.437 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 1.2 m-85 -100.05 132.83 45.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -70.2 -40.83 74.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.986 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -108.45 130.88 55.24 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.408 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' OG1' ' A' ' 65' ' ' THR . 18.5 pt20 -77.29 -19.06 56.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -70.78 -41.14 72.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 110.937 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -63.16 -36.14 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.823 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 69' ' ' VAL . 70.8 p -51.81 -34.88 42.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.476 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.49 -43.21 98.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 120.817 0.341 . . . . 0.0 110.454 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 27.5 mt -59.9 -50.93 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.052 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.31 79.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 65' ' ' THR . 51.1 t -56.76 -67.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.292 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.37 -36.17 82.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.877 0.37 . . . . 0.0 111.763 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 99.1 m-20 -62.78 -49.82 73.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.8 mm? -85.5 -28.38 25.01 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.832 0.349 . . . . 0.0 111.68 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 34.2 t30 -62.66 118.76 8.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.563 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.48 -18.86 34.86 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -86.94 133.3 33.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.827 0.346 . . . . 0.0 110.323 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -88.6 126.67 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.247 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.45 HD12 HD21 ' A' ' 82' ' ' LEU . 72.7 mt -135.66 129.53 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.413 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.09 19.09 79.83 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.41 -4.69 85.23 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -134.95 158.09 45.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.69 116.98 29.5 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.468 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -67.04 154.85 40.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.269 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -117.06 121.37 41.13 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.775 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mm -102.29 121.98 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 66.0 t0 -136.64 140.02 42.48 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.712 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.495 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 38.8 m170 -63.92 140.08 58.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.446 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.638 HG22 ' H ' ' A' ' 89' ' ' TYR . 95.0 m -125.94 130.97 52.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.573 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -105.13 7.25 33.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.638 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.638 ' H ' HG22 ' A' ' 87' ' ' THR . 87.7 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.466 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.17 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -94.41 78.12 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.502 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.42 134.89 27.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.176 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 21.2 mmt -78.76 121.31 83.35 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.385 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.46 139.58 45.92 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 123.106 2.537 . . . . 0.0 112.319 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -97.59 166.94 23.05 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 60.0 p -68.31 -23.49 64.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.708 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -63.42 -21.18 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.996 0.427 . . . . 0.0 110.713 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.557 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.3 t90 -61.23 -18.11 56.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.049 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 56.27 0.06 0.06 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 73.68 16.05 79.23 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.44 149.25 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 110.387 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 323' ' ' HIS . . . . . 0.491 ' N ' ' ND1' ' B' ' 323' ' ' HIS . 0.0 OUTLIER -67.03 138.45 57.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.714 -179.554 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.15 147.71 38.88 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.485 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.467 0.405 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.337 179.591 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' B' ' 330' ' ' GLU . 71.4 t80 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.791 0.329 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 15.3 pm0 -43.46 -22.03 0.04 OUTLIER 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 111.048 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 330' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' B' ' 328' ' ' PHE . 14.7 tm-20 -56.14 -19.98 15.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.077 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.0 OUTLIER -57.91 -47.72 82.01 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.511 -179.104 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 332' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' B' ' 329' ' ' GLU . 68.8 p-90 -85.29 -23.3 28.21 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 111.194 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -65.62 -37.1 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.574 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.18 -47.96 83.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.502 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -67.16 -43.51 82.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.162 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -61.2 -48.6 80.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.685 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -65.94 -38.06 87.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.712 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 -179.553 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.709 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . . . . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 120.723 0.296 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -129.13 146.64 51.02 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.688 0.28 . . . . 0.0 110.986 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -97.92 121.73 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -81.62 121.03 25.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.802 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -111.31 118.63 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -116.14 179.07 17.75 Favored Glycine 0 N--CA 1.47 0.959 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 11.0 t30 56.16 43.76 26.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.773 0.32 . . . . 0.0 110.237 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 27' ' ' ILE . 4.6 tt -96.37 122.15 38.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.397 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.51 143.13 38.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.692 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -58.93 -18.29 32.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.445 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.06 -29.61 69.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -84.59 133.58 34.42 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.498 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 26' ' ' ASP . 6.6 t -107.78 -179.22 3.84 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.94 -40.51 97.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.82 -41.19 99.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.492 ' H ' HG23 ' A' ' 23' ' ' THR . 27.6 t70 -63.38 -43.23 98.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.47 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 18' ' ' LEU . 86.5 mt -61.08 -43.63 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.211 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.1 mt -57.63 -46.51 84.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.324 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.463 HG23 ' O ' ' B' ' 319' ' ' TRP . 99.0 m -59.15 -42.01 89.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.109 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.06 -49.71 83.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.413 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' A' ' 57' ' ' LEU . 54.5 m-85 -82.41 -14.52 55.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.88 0.372 . . . . 0.0 111.507 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LEU . 47.3 t -50.15 -55.88 13.26 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.82 -17.63 64.04 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.086 0.47 . . . . 0.0 111.761 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -106.99 33.03 4.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.57 71.82 1.03 Allowed Glycine 0 C--N 1.338 0.661 0 C-N-CA 119.817 -1.182 . . . . 0.0 111.249 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.0 p -52.85 125.41 39.05 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.795 -177.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 59.1 Cg_endo -73.7 159.27 45.94 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 123.257 2.638 . . . . 0.0 111.983 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.8 m -95.15 -16.22 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.448 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -160.66 133.45 6.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.707 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.9 t -125.98 124.06 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 120.735 0.303 . . . . 0.0 110.381 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.6 mt -98.65 120.67 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.286 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.552 HD12 ' CB ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -109.09 109.66 20.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.145 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -71.33 132.95 45.62 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.489 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 . . . . . 0 N--CA 1.464 0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -150.34 160.56 43.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 110.428 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.552 ' CB ' HD12 ' A' ' 42' ' ' LEU . . . -155.74 164.87 38.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.541 ' CD1' ' CE1' ' A' ' 89' ' ' TYR . 94.1 m-85 -104.95 137.23 43.03 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.759 0.314 . . . . 0.0 110.447 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 31' ' ' PHE . 6.6 tt -111.37 126.12 54.58 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.025 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 0.9 OUTLIER -98.41 109.01 21.84 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.962 0.411 . . . . 0.0 110.267 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.709 ' OH ' ' HB3' ' A' ' 11' ' ' ALA . 30.7 p90 -98.31 160.6 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.04 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -89.72 -44.42 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 68.0 m-20 -109.12 141.02 41.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.737 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -64.51 -32.26 73.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.961 0.41 . . . . 0.0 110.636 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -59.99 -24.37 64.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.668 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.2 p -63.54 -35.56 80.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.449 ' O ' HG12 ' A' ' 69' ' ' VAL . 43.4 p -64.07 -39.73 94.71 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.663 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.86 -43.81 97.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.278 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' B' ' 311' ' ' PHE . 14.2 mt -57.23 -51.87 67.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.823 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.64 -61.46 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.022 0.439 . . . . 0.0 111.796 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 65' ' ' THR . 3.1 p -49.38 -19.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.049 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -85.9 -49.28 7.99 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -98.58 -38.21 9.24 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 3.0 mm? -75.74 -14.84 60.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.037 0.446 . . . . 0.0 111.212 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -79.56 113.88 18.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.756 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.18 7.64 79.77 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -86.67 129.06 35.01 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.904 0.383 . . . . 0.0 110.687 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.43 119.11 19.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.759 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ILE . 14.6 tt -137.63 126.63 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.422 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.87 17.11 73.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.66 81.13 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -122.27 146.16 47.55 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.828 0.347 . . . . 0.0 110.604 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.531 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -77.44 138.54 39.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.416 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mt -81.69 144.07 31.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.793 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -129.55 101.64 6.02 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.11 135.92 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.418 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 56.4 t0 -154.04 141.45 19.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.635 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.43 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 42.5 m170 -75.58 141.54 42.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.701 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.4 t -146.24 150.0 34.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.626 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -118.8 24.42 10.87 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.541 ' CE1' ' CD1' ' A' ' 56' ' ' TYR . 1.5 p90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.295 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.502 ' CD1' HD21 ' A' ' 67' ' ' LEU . 92.7 m-85 . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 120.886 0.374 . . . . 0.0 110.464 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -134.04 68.56 1.48 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.83 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 24.2 mm -99.29 125.19 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 6.1 ptp -72.34 149.93 91.62 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -70.68 151.2 63.65 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.918 2.412 . . . . 0.0 112.003 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -110.26 157.05 15.25 Favored Glycine 0 N--CA 1.468 0.828 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 45.8 t -62.23 -39.26 92.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 110.472 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.73 -10.22 34.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.496 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.564 ' C ' ' H ' ' B' ' 321' ' ' GLY . 17.7 t90 -61.54 -16.63 49.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.337 0.589 . . . . 0.0 111.077 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 55.05 1.02 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.768 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 75.03 16.74 80.43 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.528 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 82.0 t -76.14 140.04 17.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.525 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.35 125.93 33.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -137.44 108.19 6.63 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.576 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 t80 . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -62.17 -21.15 64.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.622 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -49.13 -28.97 4.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.46 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -56.85 -34.36 67.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.715 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -62.61 -48.85 77.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.775 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -63.69 -39.05 93.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.18 94.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.198 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -72.38 -34.15 67.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -61.04 -30.42 70.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -83.2 -42.28 17.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.659 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 N--CA 1.464 0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.893 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.643 ' HB1' ' CZ ' ' A' ' 59' ' ' TYR . . . . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 120.702 0.286 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 11' ' ' ALA . 38.1 m-85 -153.17 153.23 32.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 13' ' ' ILE . 1.3 mt -110.87 130.75 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -86.27 125.78 33.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.3 mt -121.85 125.24 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.355 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.38 178.45 17.36 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 57.05 40.54 28.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.814 0.34 . . . . 0.0 110.616 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -100.7 153.75 19.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.477 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.558 ' ND2' ' OE2' ' A' ' 21' ' ' GLU . 1.8 m120 -74.59 136.29 42.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.296 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -60.43 -44.37 95.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.747 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' OE2' ' ND2' ' A' ' 19' ' ' ASN . 18.7 pm0 -66.87 -11.87 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.494 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.73 126.61 28.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.467 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 26' ' ' ASP . 8.8 t -104.23 172.36 6.84 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.665 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -61.71 -36.32 80.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.462 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.03 -45.81 93.37 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.5 m-20 -64.67 -44.97 88.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.544 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.46 -43.96 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 32' ' ' SER . 16.9 mt -58.22 -42.79 87.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.4 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.575 HG23 ' O ' ' B' ' 319' ' ' TRP . 26.3 m -63.54 -41.42 98.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.353 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 26' ' ' ASP . 97.0 t -67.49 -45.13 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.956 0.407 . . . . 0.0 111.014 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -86.2 -14.88 42.64 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 111.113 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 28' ' ' LEU . 1.7 m -47.81 -57.16 5.97 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.036 0.446 . . . . 0.0 111.502 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -69.87 -30.26 67.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.253 0.549 . . . . 0.0 111.106 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -90.31 34.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.182 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.49 73.32 1.13 Allowed Glycine 0 N--CA 1.465 0.583 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.481 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -54.37 118.9 17.72 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-O 120.958 0.409 . . . . 0.0 110.67 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.46 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 60.2 Cg_endo -75.15 159.14 41.14 Favored 'Trans proline' 0 N--CA 1.505 2.161 0 C-N-CA 123.676 2.917 . . . . 0.0 111.803 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 38' ' ' VAL . 15.1 m -92.62 -22.25 5.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.518 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -150.09 142.17 24.0 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.733 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.1 t -135.16 132.82 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.766 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.3 mt -117.46 123.15 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-O 120.692 0.282 . . . . 0.0 110.696 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.75 143.11 40.02 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.773 0.32 . . . . 0.0 110.62 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.446 ' HG ' ' HE1' ' A' ' 54' ' ' PHE . 29.8 t -59.05 157.59 9.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 . . . . . 0 N--CA 1.469 0.475 0 CA-C-O 120.781 0.324 . . . . 0.0 110.788 -179.31 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.868 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.446 ' HE1' ' HG ' ' A' ' 43' ' ' SER . 6.2 p90 -129.13 160.2 33.61 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.958 0.408 . . . . 0.0 110.38 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.69 153.91 32.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CE2' ' CE2' ' A' ' 89' ' ' TYR . 61.9 m-85 -106.88 145.15 32.52 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.285 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -123.63 132.14 53.79 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.994 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 84.5 tttt -105.45 107.71 18.84 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 110.319 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.643 ' CZ ' ' HB1' ' A' ' 11' ' ' ALA . 28.3 p90 -96.94 158.31 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.815 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -88.73 -38.56 14.62 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 10.0 p-10 -116.38 140.05 49.76 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.783 0.325 . . . . 0.0 110.628 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -62.63 -29.66 70.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -59.36 -26.6 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.717 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.7 m -60.11 -37.92 81.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.1 p -63.51 -40.17 96.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.04 -42.29 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.091 0.472 . . . . 0.0 110.796 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.924 HD21 ' CD1' ' B' ' 311' ' ' PHE . 47.9 mt -65.89 -38.79 89.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.071 0.463 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.98 65.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.092 0.472 . . . . 0.0 111.191 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.39 -19.32 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.156 0.503 . . . . 0.0 110.612 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.96 -46.31 62.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.804 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -115.82 -42.55 3.08 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -177.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.08 10.72 1.77 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.926 0.393 . . . . 0.0 111.196 -177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -86.62 110.51 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.35 9.08 87.32 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -54.26 131.26 41.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.6 0.238 . . . . 0.0 110.467 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.46 106.02 15.73 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.4 mt -141.35 125.42 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.906 0.384 . . . . 0.0 110.278 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.53 18.52 79.96 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.36 3.56 89.93 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -125.31 153.39 43.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 110.566 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.52 124.48 40.53 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.03 142.84 58.23 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.786 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -118.67 101.6 8.23 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.096 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.0 mm -98.26 132.75 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.634 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.62 143.45 14.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.688 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -73.53 145.62 45.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.573 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -147.35 146.38 29.64 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.68 8.5 44.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.326 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.632 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 64.3 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.506 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.924 ' CD1' HD21 ' A' ' 67' ' ' LEU . 11.5 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.892 0.377 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -123.89 45.38 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 23.8 mm -89.63 116.17 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.136 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 314' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.2 OUTLIER -77.5 147.82 75.95 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.36 165.4 31.79 Favored 'Trans proline' 0 N--CA 1.503 2.031 0 C-N-CA 123.404 2.736 . . . . 0.0 111.978 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -135.43 171.14 22.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 42.7 t -69.79 -41.16 75.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.021 0.439 . . . . 0.0 110.87 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -60.21 -23.48 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.61 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.5 t90 -59.07 -20.79 56.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 110.787 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.29 -28.57 0.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.61 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 100.4 15.1 30.88 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.421 ' CG1' HG22 ' A' ' 29' ' ' THR . 4.3 p -62.84 138.6 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.614 0.245 . . . . 0.0 110.561 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -82.83 129.63 35.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.803 0.335 . . . . 0.0 110.575 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.725 ' NE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -135.99 108.45 7.38 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.343 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.648 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 46.3 p90 . . . . . 0 C--O 1.226 -0.135 0 CA-C-O 120.726 0.298 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -61.37 -18.71 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.133 0.492 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.18 -37.56 69.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.5 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.413 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 54.7 pttt -60.97 -38.12 84.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.366 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 332' ' ' TRP . . . . . 0.413 ' N ' ' CG ' ' B' ' 331' ' ' LYS . 76.9 t90 -61.74 -48.08 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.321 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -65.08 -38.93 92.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.372 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.85 98.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.687 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -60.75 -44.37 96.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.391 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -64.02 -40.96 97.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.438 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -66.15 -35.21 79.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.685 -179.407 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.81 0.338 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -131.38 138.25 49.05 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.739 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -128.64 142.87 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.025 0.441 . . . . 0.0 110.173 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -93.92 117.59 30.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.0 mt -112.27 115.14 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.42 -179.9 16.52 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 63.96 32.32 13.18 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.932 0.396 . . . . 0.0 110.714 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.62 139.3 39.1 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.451 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.44 138.09 58.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.241 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -60.17 -19.17 52.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.22 -29.72 70.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 22' ' ' LEU . 11.1 mp -69.85 125.18 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.261 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.8 p -106.32 -173.94 2.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.634 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.44 -39.95 89.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.625 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.32 -44.83 97.13 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.0 t70 -62.99 -48.53 78.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 111.051 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.96 -45.96 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.324 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' OG ' ' A' ' 32' ' ' SER . 14.1 mt -59.86 -48.66 80.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.47 HG23 ' O ' ' B' ' 319' ' ' TRP . 96.0 m -63.49 -42.42 98.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.049 0.452 . . . . 0.0 110.994 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 26' ' ' ASP . 61.9 t -61.7 -48.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.164 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -85.74 -15.97 40.42 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.476 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 3.2 m -46.49 -58.06 4.13 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.894 0.378 . . . . 0.0 111.687 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -65.58 -26.29 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.03 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.436 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 58.5 m-85 -100.74 34.76 2.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.672 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.44 72.02 0.95 Allowed Glycine 0 C--N 1.34 0.786 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.21 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -56.38 124.47 61.49 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-O 120.955 0.407 . . . . 0.0 110.848 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.69 159.47 35.18 Favored 'Trans proline' 0 N--CA 1.489 1.214 0 C-N-CA 123.06 2.507 . . . . 0.0 112.525 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -90.47 -16.87 8.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.645 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -173.27 155.92 3.02 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.722 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -140.47 150.53 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.657 0.265 . . . . 0.0 110.33 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.4 mt -111.04 119.39 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.855 0.36 . . . . 0.0 110.314 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 42' ' ' LEU . 4.3 mm? -96.7 108.04 20.61 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.0 t -74.92 125.89 29.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 . . . . . 0 C--N 1.333 -0.15 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.47 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.43 160.52 26.44 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.96 163.93 39.11 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.656 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -111.79 120.86 43.41 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.132 0.492 . . . . 0.0 110.559 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.87 144.03 26.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.506 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -120.9 106.31 11.51 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.9 0.381 . . . . 0.0 110.674 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.615 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 47.5 t80 -114.25 167.15 10.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.306 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.615 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 81.3 mm-40 -75.46 -59.0 2.94 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 95.4 m-20 -115.45 130.1 56.78 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.838 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' OG1' ' A' ' 65' ' ' THR . 19.0 pt20 -59.77 -22.43 62.1 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.932 0.396 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' ILE . 89.6 mtm180 -60.5 -22.07 63.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.601 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.544 ' OG ' ' CE2' ' A' ' 59' ' ' TYR . 82.9 p -78.26 -35.68 47.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.901 0.381 . . . . 0.0 111.383 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 69' ' ' VAL . 39.9 p -65.28 -32.51 74.2 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.732 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 63' ' ' ARG . 13.9 tt -48.54 -31.76 3.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.639 ' CD1' HD12 ' B' ' 313' ' ' ILE . 8.9 mt -70.29 -53.39 17.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.159 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -63.67 -35.0 79.1 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.686 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 65' ' ' THR . 74.5 t -59.74 -49.41 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.314 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -86.2 -11.09 53.39 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 90.0 m-20 -100.59 -14.65 18.09 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD12 ' HB1' ' A' ' 68' ' ' ALA . 77.3 mt -120.73 -16.34 8.23 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.005 0.431 . . . . 0.0 111.595 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 5.7 t30 -68.49 116.84 9.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.33 7.76 79.1 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -94.58 124.65 38.74 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 110.337 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -76.49 130.1 37.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.73 130.1 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 66.97 23.1 72.67 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.71 -8.9 79.11 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -134.45 155.45 50.32 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 122.622 -0.34 . . . . 0.0 110.78 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.55 135.63 40.68 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.707 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.799 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -93.7 156.22 16.81 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -123.43 126.8 47.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 84' ' ' ILE . 5.3 mp -110.98 135.54 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.36 0.6 . . . . 0.0 109.925 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 40.4 t0 -150.2 149.0 29.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.796 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.459 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 47.1 m-70 -78.61 130.46 35.94 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.13 -30.73 4.59 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.781 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 54.25 31.22 13.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.397 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.875 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 311' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 8.8 m-85 . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 120.865 0.364 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -141.51 44.75 1.73 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.68 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 313' ' ' ILE . . . . . 0.639 HD12 ' CD1' ' A' ' 67' ' ' LEU . 82.4 mt -84.37 123.22 38.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 314' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.0 OUTLIER -68.43 148.34 98.16 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.238 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.67 159.71 48.06 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 123.033 2.489 . . . . 0.0 112.192 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -103.36 153.25 18.02 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 88.8 p -61.72 -36.43 80.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.575 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -66.25 -3.9 6.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 319' ' ' TRP . . . . . 0.652 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.1 t90 -63.11 -14.77 52.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.23 0.538 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 28.0 t0 62.94 -20.01 0.05 Allowed 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.759 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 321' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 92.2 9.52 61.92 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 322' ' ' VAL . . . . . 0.402 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 80.5 t -71.09 135.11 28.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.841 0.353 . . . . 0.0 110.412 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -81.05 120.91 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.359 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' B' ' 324' ' ' ARG . 11.2 mmp_? -132.71 106.32 7.7 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.779 179.906 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.731 0.301 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.44 -19.82 50.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.401 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -48.45 -31.05 5.74 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.461 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -56.27 -28.57 59.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.399 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -60.9 -44.99 96.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.14 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -64.04 -39.53 94.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.218 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.55 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.502 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.28 -39.22 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.368 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -65.41 -24.67 67.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.65 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -86.88 -41.43 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.113 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.781 179.695 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.06 65.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 110.689 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.1 mmt -82.1 140.34 33.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.479 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.04 -9.87 75.89 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -116.69 -46.91 2.73 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.74 0.305 . . . . 0.0 110.505 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 43.51 81.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.832 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -68.51 146.25 53.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 10' ' ' ASN . 28.3 mmtp -79.56 -150.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.413 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 26.3 p-10 -58.44 76.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 8' ' ' LYS . 51.1 t30 -127.27 37.29 4.28 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.886 0.374 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.72 117.82 20.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.722 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -135.91 144.78 45.7 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.713 HD11 HD11 ' A' ' 57' ' ' LEU . 8.1 pt -129.51 146.44 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 121.055 0.455 . . . . 0.0 110.483 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -92.82 129.98 38.57 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.848 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.555 HD11 HD21 ' A' ' 57' ' ' LEU . 60.5 mt -116.31 120.95 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.828 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.6 169.73 20.69 Favored Glycine 0 N--CA 1.472 1.045 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 35.3 t-20 61.36 44.29 9.74 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.98 0.419 . . . . 0.0 110.533 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 156.33 17.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.275 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.5 143.51 57.86 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.934 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -64.75 -40.28 95.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -73.82 -11.18 60.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.7 122.05 12.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.348 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -106.05 179.16 4.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.53 -39.35 90.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.15 -44.42 97.38 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.5 m-20 -63.59 -43.08 98.01 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.736 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.94 -44.95 99.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.403 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 32' ' ' SER . 21.9 mt -60.46 -43.85 96.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.592 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.4 m -63.49 -42.64 98.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.857 0.36 . . . . 0.0 111.002 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 26' ' ' ASP . 71.2 t -61.68 -49.5 84.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.171 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -86.76 -12.79 47.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.828 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.8 t -43.63 -56.87 3.47 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -68.92 -39.49 79.62 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.096 0.474 . . . . 0.0 111.695 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -78.94 33.35 0.22 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.6 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 59' ' ' TYR . . . 98.11 71.27 1.02 Allowed Glycine 0 C--N 1.34 0.802 0 C-N-CA 119.574 -1.298 . . . . 0.0 111.904 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.5 p -56.88 126.92 73.81 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.043 -176.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 74.2 Cg_endo -76.8 161.12 33.75 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 123.278 2.652 . . . . 0.0 112.037 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.5 m -94.96 -8.16 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -160.89 143.73 12.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.743 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.14 126.38 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.1 mt -110.03 126.6 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.591 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 55' ' ' ALA . 16.1 mt -118.11 124.99 49.39 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.944 0.402 . . . . 0.0 110.606 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.9 m -73.16 139.59 46.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -140.87 141.95 34.58 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.622 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 49' ' ' GLY . 65.2 t0 -81.75 113.95 20.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.22 -28.55 64.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.384 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -62.83 -43.71 98.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.792 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.572 HG23 ' N ' ' A' ' 49' ' ' GLY . 9.8 t -134.87 -46.37 0.73 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.947 0.403 . . . . 0.0 110.735 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.572 ' N ' HG23 ' A' ' 48' ' ' THR . . . 83.97 -129.83 9.39 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 58.16 -80.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.321 . . . . 0.0 110.609 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' GLY . 80.0 p -72.94 161.39 30.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.602 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 13.3 mp0 -123.99 -72.81 0.66 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.799 0.333 . . . . 0.0 110.69 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.441 ' O ' ' CD1' ' A' ' 54' ' ' PHE . . . 88.32 -11.52 67.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 53' ' ' GLY . 5.5 m-85 -150.47 144.23 25.26 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.371 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.576 ' HB2' HD23 ' A' ' 42' ' ' LEU . . . -154.82 147.53 24.34 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.606 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 56' ' ' TYR . 2.6 m-85 -141.53 136.95 31.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.193 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.713 HD11 HD11 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -127.66 146.49 50.54 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 17.8 ttmm -88.12 129.09 35.41 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 110.905 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -96.67 142.17 29.03 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.351 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.61 -41.63 97.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.944 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -123.06 135.62 54.49 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.926 0.393 . . . . 0.0 110.515 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.537 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 10.1 pm0 -69.81 -23.94 63.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -80.78 -29.37 36.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.945 0.402 . . . . 0.0 110.437 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.4 m -67.6 -23.95 65.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.544 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.696 ' O ' HG23 ' A' ' 69' ' ' VAL . 81.9 p -60.17 -27.37 67.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.39 -40.14 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.449 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 38.7 mt -56.33 -60.33 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.638 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.81 77.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.027 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 65' ' ' THR . 78.0 t -60.0 -65.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.303 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.26 -16.45 62.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.422 ' OD1' ' ND2' ' B' ' 326' ' ' ASN . 98.5 m-20 -90.55 -51.02 5.61 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.9 mm? -90.8 8.08 36.56 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.407 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 8.2 t-20 -78.61 109.67 13.03 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.12 1.88 90.2 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.543 ' CZ ' ' O ' ' B' ' 325' ' ' SER . 47.3 t80 -70.19 134.44 48.09 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -89.13 128.74 35.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.013 0.435 . . . . 0.0 111.786 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.5 mt -141.59 110.64 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.08 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 20.26 79.55 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.61 10.33 73.43 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -126.91 130.76 50.76 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.015 0.436 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.541 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -82.6 126.14 31.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.8 142.8 48.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -120.01 102.67 8.71 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.14 136.2 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.122 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -154.24 153.51 31.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -75.43 141.03 43.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.1 p -91.19 178.49 5.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.748 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -145.17 -5.6 0.68 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.74 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 28.0 p90 -80.3 154.09 28.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.456 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -105.89 148.16 36.03 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.024 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -70.18 163.77 37.38 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.81 2.34 . . . . 0.0 111.964 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -47.16 127.8 10.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.464 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -69.53 146.26 51.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.797 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.9 m -143.64 101.59 3.79 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.425 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 95' ' ' LEU . 1.6 tt -94.81 89.77 5.8 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.455 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -143.17 -93.28 0.12 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.876 0.369 . . . . 0.0 110.5 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -65.58 -23.93 66.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.23 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.464 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 88.1 t80 -60.9 -17.06 48.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.654 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.89 -41.61 67.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -64.3 -18.62 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.465 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 98' ' ' TYR . . . -75.79 -12.43 60.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.728 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.9 t -61.34 139.93 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.524 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 78.9 tttt 67.98 155.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.289 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.0 mp0 -72.69 79.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.759 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' C ' HD12 ' A' ' 106' ' ' LEU . 75.7 mm-40 -64.74 -41.09 96.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.566 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 105' ' ' GLU . 9.4 mp -108.69 -83.58 0.55 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.4 t0 46.31 51.1 11.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 52.71 42.93 31.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.242 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.3 t0 59.15 50.51 7.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.473 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.7 mm 56.76 51.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.53 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.7 t 53.95 81.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.9 t -61.15 -41.36 96.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.371 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -68.17 -12.95 61.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.47 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 58.87 -139.85 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.398 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.34 104.43 17.01 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.84 0.352 . . . . 0.0 110.45 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 49.25 -176.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 117' ' ' GLU . 18.2 pm0 -80.33 152.53 28.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.79 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.528 179.793 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -73.26 124.66 26.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.438 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -69.16 147.27 97.42 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.54 -37.19 17.57 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 122.72 2.28 . . . . 0.0 112.216 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -165.38 154.59 11.06 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.91 153.59 68.09 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.668 2.245 . . . . 0.0 111.841 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -154.97 179.85 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.598 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -72.59 133.65 44.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -52.4 5.03 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.468 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -73.39 105.34 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.877 -179.555 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.32 72.56 7.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.399 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.91 125.11 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.074 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 6.1 ptp -67.16 148.27 98.84 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.34 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.7 162.46 41.17 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 123.011 2.474 . . . . 0.0 112.217 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -118.98 168.16 13.27 Favored Glycine 0 N--CA 1.469 0.834 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 75.5 m -61.85 -36.69 81.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.938 0.399 . . . . 0.0 110.473 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -54.46 -25.33 24.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.699 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.649 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.1 t90 -60.67 -8.5 2.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.131 0.491 . . . . 0.0 111.483 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 11.1 t70 62.48 -22.61 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.649 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 88.74 17.21 57.05 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.502 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 25.1 m -74.29 152.94 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -68.81 124.32 23.36 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.834 0.349 . . . . 0.0 111.213 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -138.47 110.03 7.04 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 325' ' ' SER . . . . . 0.543 ' O ' ' CZ ' ' A' ' 75' ' ' PHE . 57.9 m -116.44 155.86 27.82 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.921 0.391 . . . . 0.0 110.739 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.422 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 11.8 p-10 -139.42 -20.39 0.94 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.826 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -157.59 145.62 12.2 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -68.9 -24.81 64.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.952 0.406 . . . . 0.0 110.284 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -56.83 -20.75 24.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.635 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -49.05 -24.73 1.69 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -56.74 -30.62 63.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -61.61 -47.12 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.89 -39.78 93.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.403 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.93 98.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.652 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -61.84 -40.78 96.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.755 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -64.38 -42.1 96.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.32 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.01 -30.16 66.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -94.92 82.04 3.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 97.5 mt -130.52 113.48 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.267 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -116.97 5.22 12.85 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.822 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -137.7 129.09 27.97 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.908 0.385 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.649 179.843 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.64 69.05 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.74 0.305 . . . . 0.0 110.643 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.0 ptp -147.34 160.31 42.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.38 -172.57 36.91 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -80.72 69.54 7.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.692 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -137.98 121.44 17.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.502 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -132.15 -9.22 3.39 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.858 0.361 . . . . 0.0 110.671 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -76.7 -74.3 0.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 48.66 30.14 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.461 ' O ' ' CD2' ' A' ' 12' ' ' TYR . 89.8 m-20 -104.12 18.62 21.68 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.549 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 139.44 49.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.464 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 10' ' ' ASN . 76.3 m-85 -120.31 152.07 38.33 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.793 HD11 HD11 ' A' ' 57' ' ' LEU . 21.0 pt -115.24 137.59 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.144 0.497 . . . . 0.0 110.121 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -82.14 116.82 21.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.178 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.7 mt -108.79 97.73 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.21 173.42 30.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 50.25 39.29 19.58 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.752 0.311 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt -86.26 127.51 34.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -67.3 129.19 39.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.385 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -66.46 -23.31 66.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.59 -30.44 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 22' ' ' LEU . 7.7 mp -76.85 138.02 39.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.548 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -107.1 -170.46 1.71 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.96 -43.62 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.71 -41.2 99.57 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 30' ' ' VAL . 95.0 m-20 -62.27 -44.98 95.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 110.943 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.55 -42.49 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.366 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' SER . 28.4 mt -61.32 -46.15 91.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.565 HG23 ' O ' ' B' ' 319' ' ' TRP . 16.9 m -63.9 -39.37 94.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.993 0.425 . . . . 0.0 110.672 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 26' ' ' ASP . 69.3 t -63.38 -50.15 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.266 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -86.4 -12.9 47.89 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.666 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.4 m -42.08 -56.31 2.89 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.59 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -68.32 -37.76 80.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 111.201 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -83.95 35.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.591 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.51 71.16 0.97 Allowed Glycine 0 N--CA 1.468 0.782 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.596 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.8 p -53.2 107.29 0.81 Allowed Pre-proline 0 CA--C 1.535 0.366 0 CA-C-O 121.241 0.544 . . . . 0.0 110.758 -177.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.683 ' HG3' HD13 ' A' ' 57' ' ' LEU . 29.1 Cg_exo -60.28 155.3 46.94 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 123.056 2.504 . . . . 0.0 112.312 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.455 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 23.8 m -94.81 -25.93 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.042 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 38' ' ' VAL . 90.6 m-20 -145.72 136.84 24.73 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -127.3 129.06 70.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.726 0.298 . . . . 0.0 110.416 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.434 HD12 ' OH ' ' A' ' 89' ' ' TYR . 95.6 mt -100.78 124.56 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.716 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 42' ' ' LEU . 3.5 mm? -103.16 108.38 19.55 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.153 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.462 ' OG ' ' CE2' ' A' ' 54' ' ' PHE . 83.5 p -69.6 155.3 40.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.566 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -130.44 129.8 43.45 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.734 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLY . 65.2 t0 -81.87 123.38 28.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.87 -19.04 64.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.987 0.422 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -69.65 -40.83 76.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.6 p -110.25 -32.6 6.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.031 0.443 . . . . 0.0 110.859 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 75.88 19.63 78.66 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.495 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 23.9 pt-20 -155.54 -35.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.721 0.296 . . . . 0.0 110.771 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 82.0 p -70.23 158.24 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.791 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 18.5 mp0 -138.13 -79.1 0.36 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.874 0.368 . . . . 0.0 110.453 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.13 -9.81 75.42 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.462 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 46.9 p90 -158.01 158.86 35.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.669 0.271 . . . . 0.0 110.559 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.66 167.24 30.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.568 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -130.67 128.47 40.98 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.797 0.332 . . . . 0.0 110.745 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 13' ' ' ILE . 4.4 pp -132.27 146.62 52.12 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.491 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -129.35 143.03 50.68 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.746 0.308 . . . . 0.0 111.106 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 42.2 t80 -117.88 167.84 11.04 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.666 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.566 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 45.5 tp10 -59.92 -42.99 95.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.529 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -104.89 113.19 26.63 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.95 0.405 . . . . 0.0 110.63 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -63.66 -33.25 75.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -58.62 -29.44 66.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.713 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.1 m -60.6 -25.53 66.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.794 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.5 p -62.37 -25.34 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.51 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.69 -39.03 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.37 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' B' ' 311' ' ' PHE . 23.9 mt -55.69 -49.22 73.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.721 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.53 94.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.12 -32.04 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.782 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -91.51 -13.97 31.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.221 -0.299 . . . . 0.0 111.567 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' B' ' 326' ' ' ASN . 10.1 t-20 -118.36 -55.02 2.26 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 7.1 mp -90.06 21.47 3.69 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -85.51 108.06 17.75 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.261 -0.274 . . . . 0.0 110.561 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.64 2.81 70.65 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -63.66 126.56 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.688 0.28 . . . . 0.0 110.634 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -69.42 115.22 8.44 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.793 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 80' ' ' ARG . 16.2 tt -142.46 132.47 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.12 19.88 78.75 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.38 74.61 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' ILE . 97.2 mtt180 -136.84 153.71 50.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.832 0.348 . . . . 0.0 110.664 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.06 129.52 38.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -87.06 148.9 25.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.088 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -103.4 119.53 39.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.353 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.36 116.92 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.85 0.357 . . . . 0.0 110.287 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -143.93 161.39 38.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.432 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -88.86 131.77 34.96 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.37 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 12' ' ' TYR . 6.7 t -138.92 143.87 38.84 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -127.45 42.21 3.37 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.434 ' OH ' HD12 ' A' ' 41' ' ' ILE . 22.5 p90 -62.05 134.72 56.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -57.15 136.62 80.72 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.198 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.44 159.72 39.45 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 123.112 2.541 . . . . 0.0 112.085 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.75 -21.23 66.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.409 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 -64.39 129.38 39.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.402 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.1 m -161.55 69.17 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 96' ' ' GLN . 1.7 tt -148.92 111.53 4.77 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.356 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.511 ' N ' HD23 ' A' ' 95' ' ' LEU . 49.5 tt0 -156.95 -47.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.538 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -171.84 37.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.526 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 41.0 p90 -51.35 131.25 28.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.438 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -136.12 -32.26 0.87 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.089 0.471 . . . . 0.0 110.446 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -71.49 -17.27 62.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.584 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.57 -17.7 61.15 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.2 m -112.29 -18.97 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-O 120.886 0.374 . . . . 0.0 110.949 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -47.45 -91.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -134.62 25.73 3.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -61.71 -42.24 98.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.662 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 106' ' ' LEU . 1.1 tt -71.59 -41.48 68.91 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.106 0.479 . . . . 0.0 110.459 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -59.87 -42.2 93.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 55.98 -96.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -154.92 21.55 0.44 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.447 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 111' ' ' VAL . 20.1 tt -76.54 -6.04 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.658 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 111' ' ' VAL . 9.8 p -35.58 124.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.766 0.317 . . . . 0.0 110.944 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.8 p -64.9 -35.76 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.751 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.66 140.91 55.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.298 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -135.52 5.94 3.22 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.777 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.2 m120 51.39 42.69 29.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.08 87.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.445 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 118' ' ' LYS . 99.1 mt-10 -61.44 -29.13 69.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.511 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 117' ' ' GLU . 25.0 pttm . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.801 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 303' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 304' ' ' LYS . 66.5 t0 -62.54 140.68 58.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.391 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 304' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' B' ' 303' ' ' ASP . 63.6 mttp -63.74 147.98 95.11 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.26 -21.08 48.45 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.866 2.377 . . . . 0.0 112.185 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' B' ' 307' ' ' PRO . . . -123.27 167.29 15.14 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.936 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 307' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' B' ' 306' ' ' ALA . 59.7 Cg_exo -49.45 145.51 16.12 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.852 2.368 . . . . 0.0 112.067 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 20.2 pm0 -59.34 -15.49 16.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 309' ' ' ASN . . . . . 0.529 ' OD1' ' ND2' ' B' ' 337' ' ' ASN . 69.0 m-80 -73.47 138.73 45.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.541 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -62.47 -40.82 97.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.4 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.484 ' CD1' HD21 ' A' ' 67' ' ' LEU . 78.9 m-85 -135.55 -176.34 4.25 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.572 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -125.77 49.12 1.98 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.82 0.343 . . . . 0.0 111.109 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 33.2 mm -80.27 127.62 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.04 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -89.14 118.54 69.28 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.107 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.74 147.26 32.18 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 123.256 2.637 . . . . 0.0 111.999 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -118.32 162.94 13.08 Favored Glycine 0 N--CA 1.469 0.874 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 67.9 m -60.74 -36.93 80.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.148 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -53.95 -22.01 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.36 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' THR . 20.6 t90 -61.87 -23.15 66.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.305 0.574 . . . . 0.0 111.473 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 20.2 t0 65.22 -11.29 0.16 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.731 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 81.13 18.95 68.16 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 29' ' ' THR . 8.7 p -63.29 150.57 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 O-C-N 122.711 -0.288 . . . . 0.0 110.442 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -81.8 133.23 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.824 0.345 . . . . 0.0 110.662 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.887 ' HE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -139.81 142.53 36.66 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.848 0.356 . . . . 0.0 110.167 -179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 88.3 p -158.37 162.73 37.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.499 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 71' ' ' ASN . 36.2 t30 -123.29 -91.47 0.55 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.686 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -74.54 162.79 54.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -61.4 -46.37 90.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.804 0.335 . . . . 0.0 110.412 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.31 -19.73 62.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.032 0.444 . . . . 0.0 110.777 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -47.99 -35.67 11.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -57.53 -37.46 73.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.986 0.422 . . . . 0.0 110.235 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -65.71 -45.46 82.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.349 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -45.93 88.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.138 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.27 93.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.456 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -57.77 -44.21 86.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.17 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.78 -37.75 88.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.574 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 337' ' ' ASN . . . . . 0.529 ' ND2' ' OD1' ' B' ' 309' ' ' ASN . 86.8 m-20 -89.03 -3.37 58.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -124.25 34.06 5.13 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.13 -41.35 89.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.163 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -56.63 134.15 54.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.383 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -61.54 -40.31 94.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.421 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.06 -72.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.399 . . . . 0.0 110.702 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 1' ' ' GLY . 71.9 mtm 52.86 -130.55 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.674 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.25 -0.9 84.62 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.1 m120 52.48 42.07 31.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.404 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.0 mp0 54.45 51.81 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.598 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 58.31 27.85 15.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.473 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt 51.03 35.39 12.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.63 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -96.7 7.16 47.21 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.428 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -105.06 18.35 22.51 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.686 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.02 145.94 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.451 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 89' ' ' TYR . 38.5 m-85 -131.11 149.45 52.59 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.458 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -110.94 119.32 59.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -85.36 117.7 24.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.9 mt -114.29 128.81 71.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -142.03 172.79 23.98 Favored Glycine 0 N--CA 1.465 0.62 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 64.99 37.85 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.784 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.02 149.24 24.45 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.059 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -70.24 139.29 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.341 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HD2' ' H ' ' A' ' 20' ' ' ARG . 2.4 mpt_? -69.91 -17.95 63.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.229 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -64.93 -24.43 67.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.22 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.0 mt -85.76 139.1 31.6 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.325 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.1 p -106.01 -173.38 2.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.02 -41.27 96.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.455 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.5 -41.07 99.36 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' VAL . 96.6 m-20 -62.73 -42.82 99.85 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.822 0.344 . . . . 0.0 110.799 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -62.63 -44.23 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.076 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.9 mt -56.95 -48.0 79.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.246 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.596 HG23 ' O ' ' B' ' 319' ' ' TRP . 79.7 m -60.91 -43.25 98.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 111.364 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 26' ' ' ASP . 62.9 t -61.19 -47.23 94.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -85.54 -13.58 48.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.433 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' LEU . 27.7 t -47.55 -56.26 7.49 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -177.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -68.53 -25.42 64.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.912 0.387 . . . . 0.0 111.314 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -96.85 35.1 1.59 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.746 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' CE1' ' A' ' 59' ' ' TYR . . . 100.09 68.21 0.86 Allowed Glycine 0 C--N 1.342 0.869 0 C-N-CA 119.512 -1.328 . . . . 0.0 111.965 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.2 p -58.05 119.34 33.72 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.99 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.4 159.09 43.85 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 123.058 2.506 . . . . 0.0 112.374 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 38' ' ' VAL . 16.3 m -91.8 -16.75 7.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.2 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 58.3 t0 -172.78 139.83 0.92 Allowed 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.773 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 10.5 m -129.25 149.59 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -112.73 125.68 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mp -110.26 101.55 10.29 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.24 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.7 t -70.97 136.04 48.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.451 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -134.42 142.18 47.06 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.733 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -84.11 121.93 28.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -71.91 -13.29 61.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.769 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -61.86 -39.82 93.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.717 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.54 -30.62 5.12 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.821 0.343 . . . . 0.0 110.591 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.34 0.54 89.9 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -138.15 63.13 1.54 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.808 0.337 . . . . 0.0 110.57 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.7 t -135.32 126.51 28.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.386 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 25.5 mt-30 -146.55 -126.08 0.07 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.374 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.05 84.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.454 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 9.0 p90 -155.01 151.23 28.2 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.262 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.64 163.98 37.69 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -110.55 134.12 52.68 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.886 0.374 . . . . 0.0 110.494 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.36 145.29 37.77 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -131.07 108.23 9.62 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.363 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.447 ' CE1' ' C ' ' A' ' 35' ' ' GLY . 45.1 t80 -106.95 155.58 19.63 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -60.57 -42.05 95.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.733 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -107.72 156.33 19.21 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.322 0.582 . . . . 0.0 111.337 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -85.98 -21.78 27.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.325 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -66.74 -27.85 67.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.5 p -61.73 -22.53 65.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 69' ' ' VAL . 80.6 p -64.51 -36.89 85.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.69 -41.86 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.068 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' B' ' 311' ' ' PHE . 39.6 mt -61.87 -62.63 1.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.485 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.32 -36.51 14.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.634 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 65' ' ' THR . 68.8 t -69.51 -68.43 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.034 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -59.11 -14.8 11.2 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 26.1 m120 -91.16 -48.04 7.18 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.8 mt -101.51 0.95 37.52 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 35.1 t30 -80.25 115.58 19.88 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.55 -9.27 77.54 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -78.42 117.04 19.26 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -77.93 109.85 12.34 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.222 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 10.6 tt -121.15 129.39 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.039 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.18 15.8 72.55 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.24 -1.5 84.54 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -128.92 148.45 50.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.937 0.398 . . . . 0.0 110.781 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.32 151.33 23.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 82' ' ' LEU . 4.6 mp -93.34 153.86 18.31 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.592 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -122.58 100.69 7.06 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.443 ' CG2' HG22 ' A' ' 69' ' ' VAL . 5.9 mm -100.89 132.02 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.694 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -150.53 144.06 25.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.017 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -78.26 140.85 38.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.4 t -147.26 143.77 28.37 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -97.21 15.71 21.95 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.023 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 51.7 t80 -49.63 129.95 20.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.989 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' A' ' 90' ' ' ARG . 14.3 ptp180 -96.25 150.08 36.72 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.96 146.36 82.4 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.584 2.189 . . . . 0.0 111.908 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -85.75 132.91 34.04 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.509 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -118.86 158.8 24.96 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 96' ' ' GLN . 66.0 m -48.81 105.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.455 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 95' ' ' LEU . 10.8 mp 40.75 -91.02 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 94' ' ' SER . 55.3 tt0 55.54 -101.1 0.12 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.643 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -73.87 63.28 0.89 Allowed 'General case' 0 CA--C 1.522 -0.105 0 CA-C-O 120.974 0.416 . . . . 0.0 110.629 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -163.23 -20.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -58.95 -48.32 81.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.403 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.72 -36.25 83.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.195 0.522 . . . . 0.0 110.35 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.53 -33.79 70.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.343 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 103' ' ' LYS . 75.3 t -37.96 -84.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.18 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.403 ' N ' HG12 ' A' ' 102' ' ' VAL . 68.4 mttm -146.86 33.67 0.92 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.167 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -100.52 -63.01 1.17 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.88 -40.55 96.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.36 -36.89 84.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -85.8 19.64 2.44 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.023 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.8 ptt85 -57.2 -18.97 18.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.733 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.79 -25.96 68.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.447 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.7 tt -53.29 -26.45 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.603 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.45 -45.45 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.219 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 71.1 m -133.93 137.12 44.69 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.842 0.354 . . . . 0.0 110.481 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -94.09 -3.19 51.61 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.19 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 116' ' ' ALA . 43.1 m-80 -152.23 -160.46 1.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.588 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 56.6 t30 64.16 -71.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.698 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' ASN . . . -61.51 -40.59 95.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.556 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -101.03 129.25 46.85 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.39 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.449 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -84.72 167.77 15.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.469 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -100.71 148.7 35.37 Favored Pre-proline 0 CA--C 1.539 0.519 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.8 163.41 38.98 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.739 2.292 . . . . 0.0 111.92 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.415 ' O ' ' OE1' ' B' ' 308' ' ' GLU . . . 53.85 58.84 12.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -70.11 152.24 67.42 Favored 'Trans proline' 0 C--N 1.301 -1.961 0 C-N-CA 122.802 2.335 . . . . 0.0 111.882 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 308' ' ' GLU . . . . . 0.499 ' N ' ' OE1' ' B' ' 308' ' ' GLU . 13.8 pm0 -149.18 175.84 11.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.649 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -128.1 124.94 38.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.923 0.392 . . . . 0.0 110.623 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -94.75 -6.43 43.07 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.421 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.726 ' CD1' HD21 ' A' ' 67' ' ' LEU . 13.1 m-85 -75.91 -168.81 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.104 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -160.74 46.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.491 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 28.6 mm -63.45 128.69 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.291 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 314' ' ' MET . . . . . 0.541 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.2 mpt? -77.86 150.34 78.31 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.49 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.68 160.06 49.83 Favored 'Trans proline' 0 N--CA 1.502 1.972 0 C-N-CA 122.759 2.306 . . . . 0.0 111.956 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -121.01 167.55 14.02 Favored Glycine 0 N--CA 1.47 0.92 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 89.6 p -63.38 -30.2 71.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -68.42 -15.69 63.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.49 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.596 ' O ' HG23 ' A' ' 29' ' ' THR . 20.9 t90 -61.22 -25.54 67.13 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.386 0.612 . . . . 0.0 111.267 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.48 2.83 0.1 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 71.88 19.24 78.1 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 69.9 t -69.73 145.09 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.514 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -69.27 137.1 52.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.46 146.02 41.58 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.041 0.448 . . . . 0.0 109.86 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 53.5 m -135.19 141.36 45.84 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.314 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -102.39 -20.8 14.43 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . 163.43 -179.82 38.31 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -22.45 65.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.462 ' OE1' ' NE1' ' B' ' 332' ' ' TRP . 78.6 mm-40 -55.03 -21.07 10.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.775 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -57.91 -19.85 32.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.695 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.544 ' CG ' ' H ' ' B' ' 332' ' ' TRP . 0.1 OUTLIER -59.65 -61.3 2.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.31 -179.619 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 332' ' ' TRP . . . . . 0.544 ' H ' ' CG ' ' B' ' 331' ' ' LYS . 62.9 p-90 -72.81 -24.41 60.91 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.027 0.442 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -67.89 -46.78 70.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.766 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.82 87.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.636 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -60.56 -42.41 96.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.498 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -63.04 -42.05 99.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.295 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -72.62 -27.94 62.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.338 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.91 -40.39 97.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.574 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.61 102.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.246 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -134.83 138.97 44.7 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.576 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.87 143.75 34.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.495 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.623 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.28 96.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.607 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 68.2 mtm 46.99 50.16 14.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.507 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.53 63.99 0.61 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.42 -7.46 59.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.681 0.276 . . . . 0.0 110.368 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -73.85 -146.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.481 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' A' ' 8' ' ' LYS . 45.3 m-85 56.87 24.01 8.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 7' ' ' TYR . 63.2 mttp 56.33 154.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -81.67 151.25 27.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.651 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -78.34 70.65 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . . . -81.12 154.18 26.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.689 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.427 ' O ' HG22 ' A' ' 87' ' ' THR . 12.1 m-85 -138.62 153.42 48.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.701 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 13' ' ' ILE . 2.8 mt -100.57 118.89 47.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -73.73 109.65 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.063 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.3 mt -110.76 111.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.64 177.12 19.92 Favored Glycine 0 N--CA 1.469 0.845 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 44.4 t30 55.58 38.96 30.88 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.785 0.326 . . . . 0.0 110.266 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.93 155.39 18.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -69.75 125.39 26.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.324 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -57.06 -18.21 13.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.48 -30.67 70.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.259 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.86 133.44 46.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.415 ' H ' ' HB2' ' A' ' 26' ' ' ASP . 61.0 p -105.52 -178.11 3.56 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.465 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -59.9 -47.14 86.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.205 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -37.41 94.63 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 30' ' ' VAL . 97.9 m-20 -62.11 -40.2 95.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.722 0.296 . . . . 0.0 110.505 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.89 -43.62 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.076 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 32' ' ' SER . 20.7 mt -57.4 -49.68 75.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.495 HG23 ' O ' ' B' ' 319' ' ' TRP . 60.7 m -61.11 -41.01 95.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 111.205 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 26' ' ' ASP . 78.6 t -62.72 -47.97 90.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.393 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -89.39 -15.43 33.28 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.5 p -47.37 -57.85 4.82 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.567 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -67.16 -12.29 59.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.232 0.539 . . . . 0.0 111.424 -179.344 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.658 ' CE1' ' ND2' ' A' ' 71' ' ' ASN . 54.5 m-85 -110.66 34.64 3.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.997 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.01 69.52 0.96 Allowed Glycine 0 C--N 1.339 0.73 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.155 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.2 p -55.47 123.01 48.04 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.914 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.1 160.83 36.2 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 123.239 2.626 . . . . 0.0 111.946 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.39 -0.32 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -167.12 143.27 4.32 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.53 124.78 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.402 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.9 mt -109.85 120.4 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.9 mt -104.8 132.07 51.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.632 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -70.82 123.53 22.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.363 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -159.76 154.9 25.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.673 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 49' ' ' GLY . 67.5 t0 -88.59 112.43 23.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.447 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -59.65 -27.44 66.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.63 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.4 -40.79 98.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.546 HG23 ' N ' ' A' ' 49' ' ' GLY . 6.4 t -135.33 -45.92 0.7 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.035 0.445 . . . . 0.0 111.042 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 97.5 50.25 1.72 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -62.08 -169.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.854 0.359 . . . . 0.0 110.669 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -61.15 148.82 39.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -84.06 -93.13 0.07 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.57 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' PHE . . . 93.36 -9.85 73.89 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 53' ' ' GLY . 21.3 m-85 -142.75 148.9 37.97 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 122.757 -0.26 . . . . 0.0 110.512 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.03 147.15 26.77 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.983 0.421 . . . . 0.0 110.615 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -138.89 120.83 15.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.108 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -117.49 141.86 47.85 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.679 0.276 . . . . 0.0 110.53 -179.408 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.8 tttp -92.32 126.19 37.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.41 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 28.4 p90 -104.39 159.82 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.694 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -76.84 -43.68 35.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.024 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 67.4 m-20 -125.67 150.62 47.47 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.985 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.487 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 24.7 mp0 -64.94 -18.24 65.06 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.966 0.412 . . . . 0.0 110.404 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -59.07 -32.54 69.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.079 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 t -61.02 -39.99 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.65 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 69' ' ' VAL . 56.5 p -64.86 -46.79 80.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.33 -42.91 92.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.54 HD21 ' HD1' ' B' ' 311' ' ' PHE . 25.1 mt -64.93 -60.68 2.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.475 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.49 -38.97 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.475 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 65' ' ' THR . 52.2 t -59.26 -68.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.792 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -64.26 -20.37 66.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.949 0.404 . . . . 0.0 111.965 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.658 ' ND2' ' CE1' ' A' ' 34' ' ' TYR . 83.5 m-20 -82.19 -33.06 29.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.022 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.4 mt -114.42 -0.88 13.63 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.962 0.411 . . . . 0.0 111.58 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 21.9 t-20 -76.32 110.25 10.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.236 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.45 -0.73 55.72 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.536 ' CE2' ' CG1' ' A' ' 77' ' ' ILE . 10.0 t80 -95.26 121.91 37.4 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.16 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -83.26 138.32 33.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.351 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.536 ' CG1' ' CE2' ' A' ' 75' ' ' PHE . 78.7 mt -137.24 123.54 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.526 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.65 19.27 77.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.57 -10.75 72.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -116.82 143.21 45.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.837 0.351 . . . . 0.0 110.562 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.528 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -94.4 121.53 36.02 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.758 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.557 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.0 154.24 33.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.942 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -114.03 120.28 40.07 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.904 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 mm -107.04 116.13 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -149.61 144.81 26.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -71.04 144.38 50.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.485 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 12' ' ' TYR . 1.8 t -140.03 139.45 35.98 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.912 0.387 . . . . 0.0 110.58 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -88.83 1.49 55.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.195 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -50.23 127.05 16.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.294 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -107.66 150.46 40.21 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' LYS . 65.1 Cg_exo -50.65 133.72 38.99 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 123.187 2.591 . . . . 0.0 111.689 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 91' ' ' PRO . 48.4 mmtt 52.61 102.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -47.15 121.78 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.319 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.4 ' C ' HD22 ' A' ' 95' ' ' LEU . 50.4 m -157.24 123.17 4.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.679 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.3 mm? -100.67 132.57 45.99 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.981 0.42 . . . . 0.0 110.169 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -99.02 141.97 31.09 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.619 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 54.52 53.84 10.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.622 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -146.04 13.81 1.3 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.392 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -57.61 -32.87 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.561 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.0 -31.99 67.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.447 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.6 78.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.17 135.13 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt 65.21 43.68 3.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -166.76 -57.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.405 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.77 -43.75 97.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.348 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -78.32 -29.23 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.669 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -99.21 17.59 19.61 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.803 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -62.29 -22.91 66.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.416 ' OD1' ' OG ' ' A' ' 112' ' ' SER . 23.6 t70 -97.59 12.6 32.97 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.89 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 111' ' ' VAL . 10.9 tp -67.72 -36.66 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.419 ' N ' HG23 ' A' ' 110' ' ' ILE . 72.3 t -65.99 -46.37 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.416 ' OG ' ' OD1' ' A' ' 109' ' ' ASP . 85.6 p -72.27 -26.19 61.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 53.77 30.76 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 51.83 40.71 28.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.567 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -145.96 0.33 0.83 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.673 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 60.47 147.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 118' ' ' LYS . 24.6 pt-20 -68.82 -22.32 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.646 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 117' ' ' GLU . 39.1 tptt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.62 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 91.0 t80 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.42 150.66 43.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.439 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 304' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' B' ' 305' ' ' PRO . 24.1 pttm -60.79 145.23 88.7 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 305' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' B' ' 304' ' ' LYS . 51.7 Cg_exo -47.94 -177.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 123.216 2.611 . . . . 0.0 111.861 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -70.01 151.06 96.22 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.79 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.62 150.05 68.54 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.983 2.455 . . . . 0.0 112.153 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.95 143.95 28.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.444 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 309' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' B' ' 311' ' ' PHE . 0.9 OUTLIER -167.95 159.74 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.507 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -89.27 -14.27 36.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.657 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.54 ' HD1' HD21 ' A' ' 67' ' ' LEU . 26.2 m-85 -131.05 158.28 40.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.493 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -88.56 35.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.17 113.08 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.301 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 21.8 ptp -92.05 154.36 43.35 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.379 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -54.65 139.01 76.57 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 123.134 2.556 . . . . 0.0 112.189 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -88.81 173.57 41.77 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 87.6 p -71.76 -22.83 61.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.672 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -70.28 -10.49 59.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.631 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.8 t90 -61.34 -17.01 51.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.712 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 15.3 t0 60.45 -12.29 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.631 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 83.84 12.53 77.11 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.416 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 24.6 t -62.19 150.46 8.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.839 0.352 . . . . 0.0 110.326 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -65.55 145.63 55.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.597 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' A' ' 33' ' ' GLU . 39.2 ptt180 -137.58 156.23 48.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.724 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 35.8 t -124.36 124.08 41.59 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.92 0.39 . . . . 0.0 110.773 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -167.86 136.7 2.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.591 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -168.46 16.77 0.07 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -63.86 -46.99 82.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.593 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -65.26 -21.09 66.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.709 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -50.28 -34.54 23.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.525 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 21.0 pttp -58.18 -41.57 84.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.5 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 332' ' ' TRP . . . . . 0.47 ' O ' ' OE1' ' B' ' 336' ' ' GLN . 86.8 t90 -62.62 -48.35 79.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.29 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -63.48 -38.73 92.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.302 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.6 89.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.299 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -62.75 -42.36 99.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.23 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 336' ' ' GLN . . . . . 0.615 ' O ' HG22 ' B' ' 339' ' ' ILE . 3.3 mp0 -61.79 -36.54 81.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.602 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 337' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' B' ' 340' ' ' ASN . 61.4 t30 -80.23 -43.2 21.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.05 0.452 . . . . 0.0 111.227 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' B' ' 340' ' ' ASN . 86.9 tt0 -64.39 -37.59 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 339' ' ' ILE . . . . . 0.615 HG22 ' O ' ' B' ' 336' ' ' GLN . 15.5 tt -39.38 -26.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.768 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 340' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' B' ' 338' ' ' GLU . 24.6 p30 -153.84 176.71 11.84 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -175.52 -22.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.64 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 82.8 tttt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.369 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.3 136.58 58.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.841 0.353 . . . . 0.0 110.674 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.6 mtt -86.07 142.78 28.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.643 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.97 76.53 0.06 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 57.37 35.32 25.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 110.402 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.81 -38.74 89.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.675 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -125.13 154.41 41.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -115.71 153.54 31.18 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.704 0.288 . . . . 0.0 110.79 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -121.57 106.6 11.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.291 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.589 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -72.9 77.8 1.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.48 148.14 24.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.609 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -127.6 140.17 52.28 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.946 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -121.58 143.91 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -91.63 119.4 31.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.9 mt -109.3 106.0 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.92 175.41 25.18 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 59.53 46.36 12.23 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -85.51 137.71 32.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.116 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.502 ' HB2' HD23 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -86.79 160.03 18.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.964 0.411 . . . . 0.0 110.693 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -70.33 -40.27 74.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.759 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' OE2' ' OD1' ' A' ' 19' ' ' ASN . 17.5 pm0 -68.23 -21.74 64.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.03 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.502 HD23 ' HB2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -61.38 114.4 3.18 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.328 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -101.67 170.92 7.86 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.827 0.346 . . . . 0.0 110.504 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.4 mp0 -62.91 -40.65 98.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.383 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.51 -41.96 99.66 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.88 -43.81 98.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.636 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.97 -43.83 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.355 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 32' ' ' SER . 8.8 mt -57.16 -44.5 83.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.287 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 319' ' ' TRP . 84.7 m -60.15 -40.14 88.82 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.16 0.505 . . . . 0.0 110.742 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 53.4 t -60.88 -48.29 89.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.433 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -87.72 -14.64 39.25 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.905 0.383 . . . . 0.0 111.769 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' LEU . 70.8 p -44.39 -60.23 2.04 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.516 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 87.4 tt0 -67.47 -35.99 80.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.567 . . . . 0.0 111.776 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.483 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 3.1 m-85 -86.32 34.28 0.63 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.177 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.96 74.53 1.15 Allowed Glycine 0 CA--C 1.527 0.837 0 C-N-CA 120.012 -1.089 . . . . 0.0 112.041 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.3 p -53.94 112.96 4.31 Favored Pre-proline 0 CA--C 1.547 0.85 0 CA-C-O 121.111 0.482 . . . . 0.0 110.843 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.99 159.0 27.17 Favored 'Trans proline' 0 N--CA 1.504 2.137 0 C-N-CA 123.764 2.976 . . . . 0.0 111.699 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 38' ' ' VAL . 23.7 m -92.5 -25.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.747 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -156.39 143.9 19.23 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.644 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.453 HG13 HD12 ' A' ' 57' ' ' LEU . 94.8 t -129.21 131.96 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.8 114.81 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tp -112.9 101.44 9.5 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.697 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.8 t -67.49 141.06 57.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.384 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -139.88 135.31 32.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 22.0 p-10 -50.16 111.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.58 -46.54 8.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.469 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -103.88 -60.52 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.557 HG23 ' N ' ' A' ' 49' ' ' GLY . 9.9 t -133.15 -45.86 0.84 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.557 ' N ' HG23 ' A' ' 48' ' ' THR . . . 91.5 149.01 23.04 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -136.2 109.97 8.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.804 0.335 . . . . 0.0 110.664 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.9 t 54.77 69.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.419 ' HG2' ' H ' ' A' ' 53' ' ' GLY . 12.6 tt0 -71.65 168.58 17.4 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.413 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' H ' ' HG2' ' A' ' 52' ' ' GLN . . . 107.46 40.81 1.71 Allowed Glycine 0 N--CA 1.467 0.726 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -149.45 158.14 43.91 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.824 0.345 . . . . 0.0 110.741 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.29 153.52 25.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -109.72 127.43 54.6 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.986 0.422 . . . . 0.0 109.991 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.453 HD12 HG13 ' A' ' 40' ' ' VAL . 2.2 tp -110.25 130.66 55.51 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.849 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -93.83 110.97 22.6 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 120.879 0.371 . . . . 0.0 110.038 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' OG ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -100.29 133.06 45.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -70.38 -41.22 73.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.547 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' OG ' ' A' ' 64' ' ' SER . 89.9 m-20 -120.29 138.41 53.7 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.846 0.355 . . . . 0.0 110.806 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -68.46 -33.92 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.5 mtm-85 -61.5 -35.1 76.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.006 0.431 . . . . 0.0 111.178 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.514 ' OG ' ' CD1' ' A' ' 59' ' ' TYR . 93.2 p -59.4 -32.93 70.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.181 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.702 ' O ' HG23 ' A' ' 69' ' ' VAL . 69.6 p -59.07 -30.55 68.15 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.588 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.43 -41.81 91.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.148 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.522 HD21 ' CD1' ' B' ' 311' ' ' PHE . 30.2 mt -62.8 -52.12 64.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.65 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.51 98.99 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 121.02 0.438 . . . . 0.0 111.857 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 65' ' ' THR . 70.0 t -57.56 -65.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.513 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.99 -18.8 61.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.89 0.376 . . . . 0.0 111.996 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -87.62 -42.82 12.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 72' ' ' LEU . 4.4 mm? -95.57 -18.27 20.73 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.042 0.449 . . . . 0.0 111.82 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 23.7 t-20 -58.62 118.36 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.722 0.296 . . . . 0.0 110.356 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.19 0.27 89.52 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.516 ' N ' ' ND2' ' B' ' 326' ' ' ASN . 17.9 t80 -78.24 132.93 37.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -90.56 109.47 20.62 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 80' ' ' ARG . 4.9 tt -123.86 143.78 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.601 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.97 -130.21 43.3 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.33 -72.15 1.02 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ILE . 2.7 mpp_? -102.23 167.07 10.23 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.892 0.377 . . . . 0.0 110.076 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.15 110.21 12.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.636 ' N ' HD23 ' A' ' 82' ' ' LEU . 1.7 pt? -50.22 144.66 6.91 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.464 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -108.39 127.92 54.31 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.062 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mm -104.06 125.15 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.793 0.33 . . . . 0.0 110.198 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 42.0 t0 -151.29 147.39 26.9 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.611 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 37.3 m170 -78.96 147.15 33.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.563 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.2 t -154.68 135.28 13.48 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.624 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -87.8 14.45 8.65 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.38 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -49.98 126.08 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.402 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 ptt85 -75.24 148.47 83.85 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.128 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.24 154.9 69.09 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 123.232 2.621 . . . . 0.0 111.981 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -61.12 162.77 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.443 ' HD3' ' H ' ' A' ' 93' ' ' ARG . 1.0 OUTLIER -60.33 -38.19 82.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.41 -179.645 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.2 t 59.25 -120.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.678 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tp -104.9 28.4 7.2 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.738 0.304 . . . . 0.0 110.662 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -91.69 -83.0 0.29 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.648 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -64.68 -24.05 67.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.96 0.41 . . . . 0.0 110.48 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.15 -36.07 74.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -52.88 -47.16 68.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.379 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -70.71 -33.45 70.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.459 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.81 88.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.55 -31.75 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.438 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -60.74 -43.38 97.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.084 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -154.02 120.95 5.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.5 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' A' ' 105' ' ' GLU . 12.2 pm0 -119.02 -117.98 0.32 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.9 0.381 . . . . 0.0 110.132 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.405 ' H ' ' CG ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -63.3 -3.86 2.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.207 179.729 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.42 -18.08 63.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.54 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -81.2 128.09 33.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 55.16 51.88 12.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.4 pt -53.07 -15.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.5 t -74.04 123.23 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.664 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.3 m -97.79 -170.22 1.96 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.575 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm 59.73 22.05 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.517 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 58.0 26.84 13.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.53 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.6 t30 51.66 40.1 26.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 51.69 33.44 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 52.21 39.54 27.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.64 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.479 179.869 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -79.0 163.2 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.678 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -101.82 148.99 36.09 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 305' ' ' PRO . . . . . 0.607 ' O ' ' HB3' ' B' ' 306' ' ' ALA . 38.2 Cg_endo -66.55 163.61 32.01 Favored 'Trans proline' 0 N--CA 1.503 2.07 0 C-N-CA 123.257 2.638 . . . . 0.0 111.788 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' B' ' 305' ' ' PRO . . . 77.05 90.14 0.06 OUTLIER Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.471 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.83 159.95 3.27 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 123.235 2.624 . . . . 0.0 112.07 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -44.13 134.23 4.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.749 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -134.17 160.99 36.15 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.841 0.353 . . . . 0.0 110.607 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 310' ' ' ARG . . . . . 0.8 ' H ' ' HE ' ' B' ' 310' ' ' ARG . 0.3 OUTLIER -62.2 -40.1 94.94 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.591 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.522 ' CD1' HD21 ' A' ' 67' ' ' LEU . 28.5 m-85 -111.58 -176.7 3.0 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.741 0.305 . . . . 0.0 110.415 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -125.07 35.77 4.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.739 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 313' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 67' ' ' LEU . 83.6 mt -93.08 121.76 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.846 0.355 . . . . 0.0 110.139 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 11.2 ptp -77.24 150.54 80.45 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.621 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.02 165.01 33.96 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 123.331 2.687 . . . . 0.0 111.98 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -120.91 165.19 14.06 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 317' ' ' SER . . . . . 0.438 ' C ' ' H ' ' B' ' 319' ' ' TRP . 38.9 t -61.3 -42.99 99.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 110.586 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -54.76 -9.33 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.374 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.596 ' C ' ' H ' ' B' ' 321' ' ' GLY . 18.8 t90 -62.67 -15.03 50.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.452 0.644 . . . . 0.0 111.359 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 22.3 t0 56.93 -5.03 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 81.24 7.83 87.96 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.544 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 68.8 t -88.82 121.29 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.819 0.342 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 323' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' B' ' 323' ' ' HIS . 36.5 p-80 -101.19 123.31 45.13 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -133.1 106.38 7.59 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 83.0 p -158.83 160.41 36.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.541 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.516 ' ND2' ' N ' ' A' ' 75' ' ' PHE . 52.0 p-10 -146.65 -137.92 0.09 Allowed 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.944 0.402 . . . . 0.0 110.482 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . 98.72 152.12 27.46 Favored Glycine 0 N--CA 1.465 0.573 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' B' ' 329' ' ' GLU . 20.8 p90 -77.32 -46.78 21.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.663 0.268 . . . . 0.0 110.619 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.554 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 15.2 tm-20 -62.35 -30.69 71.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.962 0.411 . . . . 0.0 110.81 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.87 -30.51 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.72 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -50.16 -29.21 8.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.447 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -61.11 -49.01 79.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.306 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.91 -43.23 93.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.0 110.268 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.69 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -39.6 86.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.554 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -62.26 -41.57 98.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.162 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -66.11 -37.61 86.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.312 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.21 -39.17 85.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.19 121.71 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.508 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 340' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 341' ' ' GLU . 18.8 p30 -147.82 -29.04 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.674 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 341' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' B' ' 340' ' ' ASN . 15.6 tm-20 -172.17 97.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.389 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 60.6 mttm . . . . . 0 C--O 1.218 -0.565 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.712 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.99 143.37 27.23 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.82 0.343 . . . . 0.0 110.577 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 78.2 mtm -101.31 8.89 42.19 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.08 174.27 40.78 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 p30 -130.76 34.34 4.12 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.83 -0.218 . . . . 0.0 110.711 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 56.73 30.94 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.632 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 48.26 28.54 1.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.749 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -79.85 74.36 6.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.268 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -146.67 136.13 22.9 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.842 0.353 . . . . 0.0 110.796 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.477 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -76.74 78.61 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.639 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.766 ' HB1' ' CZ ' ' A' ' 59' ' ' TYR . . . -83.65 115.37 22.13 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.398 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 11' ' ' ALA . 60.9 m-85 -158.14 146.48 18.8 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.11 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.434 ' C ' ' OG1' ' A' ' 87' ' ' THR . 2.3 mt -108.48 129.08 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 120.863 0.363 . . . . 0.0 110.044 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.523 ' N ' ' OG1' ' A' ' 87' ' ' THR . 40.9 t80 -74.87 118.96 18.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.118 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.625 HD11 HD21 ' A' ' 57' ' ' LEU . 51.4 mt -118.45 112.19 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.85 174.61 19.78 Favored Glycine 0 N--CA 1.471 1.011 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 55.65 38.86 30.7 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.825 0.345 . . . . 0.0 110.71 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -104.12 157.85 16.84 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 110.244 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.4 ' ND2' ' HG3' ' A' ' 80' ' ' ARG . 1.3 m120 -83.34 137.65 33.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.466 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -65.34 -20.23 66.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.511 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.37 -30.55 70.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.363 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' LEU . 10.9 mp -69.01 130.84 43.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.472 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -99.65 179.8 4.43 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.36 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.99 -39.92 91.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.86 99.72 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 30' ' ' VAL . 99.1 m-20 -61.19 -44.12 97.79 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.859 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.43 -43.7 98.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.136 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD13 ' NH2' ' B' ' 318' ' ' ARG . 32.1 mt -62.9 -44.52 95.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.458 HG23 ' O ' ' B' ' 319' ' ' TRP . 99.3 m -62.52 -41.47 98.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.947 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 26' ' ' ASP . 79.6 t -64.36 -48.11 86.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.53 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -82.97 -12.36 57.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.601 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.5 p -43.16 -57.09 3.1 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.48 -38.44 74.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.172 0.51 . . . . 0.0 111.556 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CD1' ' ND2' ' A' ' 71' ' ' ASN . 23.5 m-85 -80.13 34.33 0.3 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.19 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.3 73.17 1.12 Allowed Glycine 0 N--CA 1.466 0.652 0 C-N-CA 119.994 -1.098 . . . . 0.0 111.358 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.9 p -52.24 108.98 1.21 Allowed Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 121.417 0.627 . . . . 0.0 110.792 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -60.67 156.01 45.06 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 123.2 2.6 . . . . 0.0 112.093 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.1 m -98.2 -10.49 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.371 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 54.6 t0 -158.43 139.55 13.17 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.768 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 42' ' ' LEU . 21.0 t -125.85 127.72 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 120.705 0.288 . . . . 0.0 110.395 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.3 mt -107.82 114.6 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.079 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 40' ' ' VAL . 4.4 mp -116.98 130.1 56.47 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.647 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -62.16 155.31 24.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.164 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 50' ' ' GLU . 58.8 mtp180 -120.09 172.44 7.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.928 0.394 . . . . 0.0 110.938 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -48.26 151.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.637 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -61.9 -8.69 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.637 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.6 -42.24 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 49' ' ' GLY . 13.5 t -99.52 -43.18 6.61 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.152 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.535 ' N ' HG23 ' A' ' 48' ' ' THR . . . 150.12 -174.73 29.47 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 44' ' ' ARG . 78.4 mm-40 51.74 94.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.676 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.436 ' O ' ' CZ ' ' A' ' 54' ' ' PHE . 69.2 m -67.8 152.46 45.54 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -80.93 -178.51 6.89 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.784 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.19 -3.27 37.79 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CZ ' ' O ' ' A' ' 51' ' ' SER . 38.2 p90 -158.49 161.14 37.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.614 0.245 . . . . 0.0 110.901 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.447 ' O ' ' CD1' ' A' ' 56' ' ' TYR . . . -152.84 154.99 36.25 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.683 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.447 ' CD1' ' O ' ' A' ' 55' ' ' ALA . 10.9 m-85 -136.07 135.89 39.74 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.739 0.304 . . . . 0.0 110.691 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -133.56 144.19 49.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -91.84 127.81 37.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.766 ' CZ ' ' HB1' ' A' ' 11' ' ' ALA . 17.3 p90 -96.82 153.88 17.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.744 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.61 -40.81 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 67.3 m-20 -124.75 150.06 46.65 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.145 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -65.42 -34.33 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -58.2 -20.87 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.405 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.3 t -60.97 -40.75 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.869 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 69' ' ' VAL . 70.3 p -60.56 -42.32 96.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.707 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.16 -44.24 97.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.209 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.588 ' CD1' HD12 ' B' ' 313' ' ' ILE . 19.5 mt -65.13 -62.91 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.279 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.77 -40.9 42.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 65' ' ' THR . 52.9 t -61.97 -67.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.549 -0.461 . . . . 0.0 111.284 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.6 -22.26 66.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.968 0.413 . . . . 0.0 111.892 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.599 ' ND2' ' CD1' ' A' ' 34' ' ' TYR . 77.6 m-20 -76.91 -48.62 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.55 18.9 19.84 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.867 0.365 . . . . 0.0 111.732 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.9 t30 -77.65 110.65 12.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.61 0.46 79.0 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -78.99 133.36 36.84 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.661 0.267 . . . . 0.0 110.342 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -94.18 133.55 37.57 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.545 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.8 mt -142.01 125.29 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.32 15.66 78.87 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.42 -5.85 84.25 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.4 ' HG3' ' ND2' ' A' ' 19' ' ' ASN . 19.8 mmm180 -118.92 134.24 55.3 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 110.594 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.87 113.56 22.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.698 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -72.39 152.18 42.18 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.063 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -114.87 114.53 25.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 mm -98.37 123.69 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.843 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -154.34 156.61 37.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.303 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -63.21 133.0 53.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.245 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.523 ' OG1' ' N ' ' A' ' 14' ' ' TYR . 11.2 m -89.05 127.06 35.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.072 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -102.12 -10.86 19.29 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.33 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CE2' ' O ' ' A' ' 90' ' ' ARG . 75.3 t80 -75.6 135.51 40.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.658 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' O ' ' CE2' ' A' ' 89' ' ' TYR . 90.3 mtm180 -95.02 152.3 39.43 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.197 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 146.01 58.78 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 123.121 2.547 . . . . 0.0 112.163 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -62.73 -176.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.465 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 94' ' ' SER . 79.2 mtp180 56.08 -174.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.397 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 93' ' ' ARG . 15.8 m 57.97 154.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.669 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 95' ' ' LEU . 17.2 tp -134.11 51.11 2.15 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.438 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 97' ' ' LYS . 95.2 mm-40 42.45 58.6 3.01 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.471 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 96' ' ' GLN . 43.1 pttt 30.99 56.96 0.23 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.801 0.334 . . . . 0.0 110.433 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -55.24 -33.95 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.65 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.566 ' O ' HG22 ' A' ' 102' ' ' VAL . 62.2 t80 -51.05 -39.97 57.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.141 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.14 -31.07 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.975 0.417 . . . . 0.0 110.457 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 103' ' ' LYS . . . -59.69 -24.94 64.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.596 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 99' ' ' TYR . 17.0 m -48.77 -15.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.6 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 101' ' ' ALA . 25.8 pttm -152.64 152.56 31.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 48.48 58.68 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.093 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' ALA . 96.0 mt-10 -74.4 -32.58 62.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.618 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.01 -32.67 6.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.859 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -79.69 70.93 6.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.781 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -73.16 -30.81 63.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.5 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -105.13 108.04 19.34 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.485 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 24.2 mm -90.51 118.93 36.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.884 0.373 . . . . 0.0 110.238 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.07 -34.13 67.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.696 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 m 62.33 169.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 52.06 78.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.679 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -84.11 36.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.424 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.0 m120 56.4 38.09 29.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 44.3 34.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.635 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 51.08 -140.58 0.85 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.476 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.483 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.04 140.29 56.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.295 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -87.9 146.43 38.74 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -44.35 -68.55 0.1 OUTLIER 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 122.904 2.403 . . . . 0.0 112.009 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -173.35 148.87 1.6 Allowed Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -69.04 150.38 72.53 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.739 2.293 . . . . 0.0 112.085 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 308' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' B' ' 308' ' ' GLU . 14.1 pm0 -73.7 -23.83 59.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.674 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -77.97 128.41 33.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -72.78 -45.57 57.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.102 0.477 . . . . 0.0 110.456 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.455 ' CD2' HD21 ' A' ' 67' ' ' LEU . 91.8 m-85 -140.52 148.8 41.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.475 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -104.32 45.13 0.98 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 313' ' ' ILE . . . . . 0.588 HD12 ' CD1' ' A' ' 67' ' ' LEU . 95.8 mt -99.99 120.14 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 120.936 0.398 . . . . 0.0 110.538 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 314' ' ' MET . . . . . 0.459 ' N ' ' SD ' ' B' ' 314' ' ' MET . 2.8 mpp? -90.97 151.89 43.78 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.215 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.79 150.79 68.52 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.959 2.439 . . . . 0.0 112.335 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -103.25 176.9 24.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 95.4 p -66.55 -28.1 68.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.974 0.416 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 318' ' ' ARG . . . . . 0.505 ' NH2' HD13 ' A' ' 28' ' ' LEU . 36.6 ttt180 -62.31 -18.99 62.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.76 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.585 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.0 t90 -60.28 -16.6 35.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.165 0.507 . . . . 0.0 111.182 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 35.7 t0 64.27 -31.96 0.13 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.194 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 106.9 10.64 27.96 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.18 135.1 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -69.96 143.28 52.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.705 ' NE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -138.94 152.48 47.75 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.197 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 66.5 m -130.13 147.94 51.92 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.767 0.318 . . . . 0.0 110.439 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' B' ' 326' ' ' ASN . 8.9 p-10 -127.83 -60.82 1.14 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.73 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -143.11 155.8 26.16 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.518 ' CE1' ' OE2' ' B' ' 329' ' ' GLU . 47.1 p90 -60.43 -26.54 66.81 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.766 0.317 . . . . 0.0 110.703 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.518 ' OE2' ' CE1' ' B' ' 328' ' ' PHE . 40.6 mp0 -58.85 -20.43 50.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.102 0.477 . . . . 0.0 110.553 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -51.24 -22.13 2.51 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.29 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.2 OUTLIER -51.97 -61.59 2.16 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.7 0.286 . . . . 0.0 111.555 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 332' ' ' TRP . . . . . 0.401 ' H ' ' HG3' ' B' ' 331' ' ' LYS . 33.2 p-90 -79.93 -23.34 41.8 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.187 0.518 . . . . 0.0 111.093 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.73 -29.83 61.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.51 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.48 94.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.455 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.87 -45.09 75.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.142 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -67.1 -19.96 65.72 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.414 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -83.57 -43.13 16.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.733 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -78.54 -47.35 17.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 58.8 mt 45.1 72.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.429 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -84.65 161.17 20.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.71 152.32 39.41 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.568 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.409 ' N ' ' CD ' ' B' ' 342' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.218 -0.559 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.33 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.76 139.04 58.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.346 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.8 mmt -99.5 95.73 7.2 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.482 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.8 -71.91 1.03 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.3 m120 58.25 30.91 20.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -89.44 151.13 22.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.55 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -68.34 123.31 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.512 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -174.32 -73.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.999 0.428 . . . . 0.0 110.718 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -87.36 74.78 9.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.415 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.453 ' O ' ' OD1' ' A' ' 10' ' ' ASN . 45.8 p-10 -82.78 137.2 34.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.825 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.17 150.58 23.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.489 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -118.52 151.35 38.01 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.791 0.329 . . . . 0.0 110.761 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' CD1' HG22 ' A' ' 65' ' ' THR . 1.6 mt -106.61 124.27 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -85.74 128.72 34.87 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.627 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -124.03 130.67 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.28 174.85 22.3 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 54.95 37.9 29.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.918 0.39 . . . . 0.0 110.496 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.781 HD23 ' H ' ' A' ' 18' ' ' LEU . 2.0 pt? -88.9 147.02 24.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.318 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -63.69 141.83 58.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.744 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -61.28 -30.54 70.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.446 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.59 -32.11 65.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.78 117.32 3.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.524 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 26' ' ' ASP . 6.6 t -104.51 -176.96 3.23 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 110.317 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' OE2' HD11 ' A' ' 28' ' ' LEU . 15.8 tm-20 -61.13 -39.83 91.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.575 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -40.79 96.26 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 23' ' ' THR . 99.1 m-20 -62.01 -40.04 94.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.0 -45.29 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD11 ' OE2' ' A' ' 24' ' ' GLU . 13.0 mt -55.26 -47.67 75.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.605 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.5 m -61.77 -43.13 99.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.956 0.408 . . . . 0.0 111.253 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' ASP . 76.3 t -62.31 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -85.5 -13.14 49.98 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.507 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' LEU . 87.8 p -43.81 -62.32 1.15 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HB3' HH11 ' B' ' 324' ' ' ARG . 16.3 tm-20 -72.87 -33.83 66.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.174 0.512 . . . . 0.0 111.305 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -86.68 35.12 0.66 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.159 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.64 70.58 0.91 Allowed Glycine 0 CA--C 1.523 0.582 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.903 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.7 p -55.7 121.27 38.24 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.348 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.54 157.27 44.8 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 122.975 2.45 . . . . 0.0 112.111 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 38' ' ' VAL . 19.2 m -92.46 -24.3 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.849 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -169.2 153.12 5.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.543 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 m -137.64 149.28 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.102 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -110.61 119.81 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.724 0.297 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -112.68 99.27 7.81 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.5 m -80.52 136.65 36.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.52 ' NH2' ' H ' ' A' ' 50' ' ' GLU . 50.9 ttt-85 -153.92 130.19 10.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.284 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -88.09 109.94 20.26 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.576 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -68.7 -14.73 63.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -61.8 -43.07 99.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.776 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 49' ' ' GLY . 14.5 t -131.21 -38.56 1.21 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.573 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' N ' HG23 ' A' ' 48' ' ' THR . . . 78.86 -159.94 46.27 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' H ' ' NH2' ' A' ' 44' ' ' ARG . 93.5 mt-10 56.6 55.54 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 110.7 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.1 p -72.15 168.22 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -66.91 -11.63 56.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.422 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.86 29.87 19.5 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -89.36 141.39 28.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.941 0.401 . . . . 0.0 110.384 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.36 155.54 41.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -112.26 123.49 50.4 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.89 0.376 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD23 HD12 ' A' ' 13' ' ' ILE . 1.3 tp -95.72 138.13 33.8 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.7 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -127.54 106.97 9.54 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.776 0.322 . . . . 0.0 111.032 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.553 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 7.0 t80 -117.72 142.88 46.75 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.266 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 15.2 tm-20 -55.25 -52.41 63.48 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.458 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -86.14 112.61 21.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 0.0 110.492 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -78.13 -20.05 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -68.96 -34.75 75.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.009 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.2 t -58.36 -38.7 77.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.952 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 69' ' ' VAL . 23.8 p -48.21 -26.98 2.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.577 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.0 mt -60.27 -47.9 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.312 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.688 HD21 ' CD1' ' B' ' 311' ' ' PHE . 5.0 mp -66.8 -45.74 77.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.062 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.87 78.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.949 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 98.8 t -65.05 -53.68 38.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.157 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -64.81 -14.93 60.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.737 0.304 . . . . 0.0 111.685 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 24.5 m120 -105.54 -22.67 12.95 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.6 mt -113.36 -7.59 13.48 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.923 0.392 . . . . 0.0 111.315 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 28.9 t-20 -76.19 113.58 13.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 110.432 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.25 3.75 89.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -80.11 123.43 27.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.466 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -72.81 121.81 20.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.12 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 77' ' ' ILE . 14.7 tt -139.45 125.94 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.37 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.03 17.81 75.9 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.82 3.62 80.03 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -125.88 153.15 44.59 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.045 0.45 . . . . 0.0 110.487 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.51 144.24 30.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 mt -88.8 140.58 29.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.869 0.366 . . . . 0.0 110.694 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -131.06 113.92 14.53 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.441 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 50.0 mt -134.94 142.26 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.578 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 84' ' ' ILE . 80.4 m-20 -147.11 157.12 43.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.961 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.19 132.13 35.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.985 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.7 t -137.72 140.37 40.67 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.055 0.455 . . . . 0.0 110.329 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -98.81 15.26 25.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -43.6 117.94 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.08 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -94.18 152.48 40.33 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.31 163.79 30.66 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.997 2.465 . . . . 0.0 111.785 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -55.98 -62.13 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.332 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? 48.48 23.85 0.66 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.486 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t 72.37 51.68 0.18 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.97 45.47 1.3 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 120.846 0.355 . . . . 0.0 110.219 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.52 -39.88 94.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -111.94 128.14 56.07 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.692 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -149.56 116.04 5.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.463 ' O ' HG12 ' A' ' 102' ' ' VAL . 64.5 t80 -165.39 -64.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.737 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 100' ' ' GLU . 20.9 pm0 -62.32 -19.98 63.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.97 -7.91 55.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.536 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 104' ' ' GLU . 7.6 p -62.88 129.24 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.662 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 88.6 tttt 38.81 -92.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 102' ' ' VAL . 77.0 mm-40 -66.32 108.66 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.66 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -94.74 -112.32 0.12 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.194 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.53 -11.35 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.987 0.422 . . . . 0.0 110.126 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -55.17 142.28 31.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.645 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -129.91 -33.86 1.75 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.645 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -83.76 179.91 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.513 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 37.2 pt -139.18 164.23 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.745 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 111' ' ' VAL . 17.7 m -93.57 -174.79 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.544 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.8 t 57.71 -123.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.403 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -63.3 140.63 58.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.374 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -137.94 161.35 36.9 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.625 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 45.1 p30 -74.92 -2.65 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.17 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.408 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -149.86 3.25 0.54 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.587 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.519 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 303' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' B' ' 303' ' ' ASP . 50.6 p-10 -75.0 139.81 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.491 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -78.41 148.81 74.51 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.157 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.21 146.6 70.4 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.827 2.351 . . . . 0.0 112.124 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' B' ' 307' ' ' PRO . . . -61.57 -50.69 81.39 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.755 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 307' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' B' ' 306' ' ' ALA . 68.8 Cg_exo -47.39 134.93 20.48 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.795 2.33 . . . . 0.0 111.94 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 308' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' B' ' 308' ' ' GLU . 14.5 pm0 -85.12 -15.84 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.721 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 309' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 24.5 p30 -73.19 138.15 45.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.499 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 310' ' ' ARG . . . . . 0.521 ' NH2' ' CH2' ' B' ' 332' ' ' TRP . 63.9 mmt-85 -61.61 -39.03 89.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.755 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.688 ' CD1' HD21 ' A' ' 67' ' ' LEU . 60.3 m-85 -131.11 -169.48 2.18 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.806 0.336 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -135.47 48.81 2.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 87.6 mt -97.06 118.68 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.437 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 314' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.3 mpt? -89.39 148.72 41.15 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.222 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.62 161.17 47.0 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.991 2.461 . . . . 0.0 112.283 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -117.0 168.21 12.76 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 95.2 p -63.7 -35.59 81.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -59.41 -12.06 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.572 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.0 t90 -60.38 -11.65 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.225 0.536 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 55.95 -1.06 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.929 0.395 . . . . 0.0 111.174 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 75.84 10.76 84.96 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.519 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 53.1 t -65.61 139.62 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.672 0.272 . . . . 0.0 110.294 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -79.0 111.83 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.226 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.587 ' O ' ' NE ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -138.52 114.52 10.09 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 94.3 p -150.71 163.0 39.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.313 . . . . 0.0 110.606 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -84.4 -168.01 2.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.665 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -133.28 -41.95 0.17 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -60.37 -49.75 76.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.786 0.327 . . . . 0.0 110.741 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.88 -21.33 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.783 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -59.37 -49.56 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.718 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -70.0 -27.79 64.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.647 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 332' ' ' TRP . . . . . 0.521 ' CH2' ' NH2' ' B' ' 310' ' ' ARG . 48.1 t90 -61.71 -48.66 79.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.426 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.53 -38.09 83.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.233 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.34 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.431 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -63.46 -41.72 98.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.623 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 336' ' ' GLN . . . . . 0.441 ' OE1' ' CZ3' ' B' ' 332' ' ' TRP . 73.9 mt-30 -59.8 -41.45 91.23 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.338 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -62.97 -40.03 96.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.268 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.4 -43.56 98.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.677 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 49.3 mm -69.29 -43.44 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.478 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -70.86 121.24 17.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -83.27 121.39 27.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.288 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.421 -179.814 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.56 142.34 53.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.595 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.8 tpt -80.9 128.52 33.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.11 -161.47 49.07 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 26.8 p30 -80.84 143.56 32.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.932 0.396 . . . . 0.0 110.354 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mp0 -64.88 -39.52 93.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -106.11 158.0 17.14 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.511 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.8 mttm 54.96 44.11 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -80.56 81.28 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.625 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -151.31 68.23 0.92 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.549 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.56 157.5 36.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.706 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -120.71 158.54 27.26 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.827 0.346 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -102.18 122.03 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -84.41 126.24 33.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.293 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.011 HD11 HD12 ' A' ' 57' ' ' LEU . 83.2 mt -118.89 121.71 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.29 167.47 23.43 Favored Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 61.44 41.48 12.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.003 0.43 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.49 143.16 26.65 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.175 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.42 ' HB3' HD13 ' A' ' 22' ' ' LEU . 49.9 t30 -65.42 138.34 58.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.372 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -61.05 -21.17 63.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -77.53 -28.43 51.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.545 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 19' ' ' ASN . 3.5 mp -65.92 117.67 8.63 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.328 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.1 p -96.64 173.68 7.21 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.385 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -60.08 -42.66 95.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.349 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.03 -40.12 98.49 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.3 m-20 -62.51 -40.68 97.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.886 0.374 . . . . 0.0 110.579 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.42 -41.63 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.155 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.79 -42.84 94.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.074 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.403 HG23 ' O ' ' B' ' 319' ' ' TRP . 29.4 m -63.62 -42.86 98.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.934 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' ASP . 87.6 t -65.33 -49.61 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -74.83 -14.22 60.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.231 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -43.77 -57.06 3.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.78 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.9 -39.79 69.32 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.218 0.532 . . . . 0.0 111.604 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' OH ' ' NE ' ' B' ' 324' ' ' ARG . 28.0 m-85 -79.49 33.7 0.25 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.002 -178.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.89 73.47 1.06 Allowed Glycine 0 C--N 1.341 0.84 0 C-N-CA 119.872 -1.156 . . . . 0.0 112.353 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.9 p -55.39 114.09 6.66 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-O 121.429 0.633 . . . . 0.0 109.88 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.79 159.97 41.37 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 123.577 2.851 . . . . 0.0 112.883 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.88 -14.53 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.37 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -158.94 147.94 18.61 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 t -137.4 128.4 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.466 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -114.95 115.89 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.902 0.382 . . . . 0.0 110.67 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.37 105.19 6.81 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.494 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -66.59 141.35 57.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.414 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -152.59 145.91 24.77 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.696 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' GLY . 98.4 m-20 -89.04 136.45 33.01 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.592 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -71.56 -31.98 67.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.938 0.399 . . . . 0.0 110.888 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -62.7 -41.38 99.09 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.377 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 p -106.02 -29.68 9.77 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.071 0.462 . . . . 0.0 110.927 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 92.04 8.58 63.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -156.94 161.52 39.63 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.747 0.308 . . . . 0.0 110.654 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.0 p -99.91 -146.12 0.34 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 110.442 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -84.2 -7.16 59.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.173 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.2 43.65 1.36 Allowed Glycine 0 CA--C 1.532 1.098 0 C-N-CA 121.236 -0.507 . . . . 0.0 112.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -138.33 155.25 48.74 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.782 0.325 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.34 158.46 34.36 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.649 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -115.85 145.27 43.0 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.7 0.286 . . . . 0.0 110.41 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.011 HD12 HD11 ' A' ' 15' ' ' ILE . 2.3 mt -121.77 147.93 45.3 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.424 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -129.46 107.94 9.88 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 120.864 0.364 . . . . 0.0 111.194 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.614 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 81.9 t80 -109.25 175.26 5.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.931 0.396 . . . . 0.0 110.007 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.614 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 99.6 mt-10 -75.09 -59.08 2.9 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -110.38 126.69 54.53 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.9 0.381 . . . . 0.0 111.073 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -55.36 -18.81 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.531 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -60.45 -35.47 75.93 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.448 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 94.2 p -61.66 -22.97 65.76 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.258 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' HG22 ' A' ' 69' ' ' VAL . 51.1 p -60.52 -26.55 66.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.35 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.94 -38.36 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.334 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.621 HD21 ' CD1' ' B' ' 311' ' ' PHE . 40.1 mt -68.59 -43.1 77.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.442 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.08 -51.09 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.933 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.633 HG23 ' N ' ' A' ' 70' ' ' ASP . 20.6 m -66.42 -51.3 59.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 111.801 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.633 ' N ' HG23 ' A' ' 69' ' ' VAL . 42.8 t0 -56.71 -12.49 1.89 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -116.47 -52.46 2.57 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.7 mm? -79.24 -10.36 59.8 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -74.45 109.86 8.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.908 0.385 . . . . 0.0 110.075 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.19 3.64 78.79 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' B' ' 325' ' ' SER . 35.9 t80 -78.48 128.28 33.35 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.4 126.81 32.08 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.163 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.41 HD12 HD13 ' A' ' 82' ' ' LEU . 30.4 mt -140.06 113.35 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.143 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.76 21.91 78.81 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.66 -10.87 73.63 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -112.78 147.65 36.45 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 122.554 -0.38 . . . . 0.0 110.329 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.48 139.92 32.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.611 0.243 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 77' ' ' ILE . 9.7 mp -81.48 145.24 30.83 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.45 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -123.27 100.7 6.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.737 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.529 ' CG2' HG12 ' A' ' 69' ' ' VAL . 4.4 mm -96.29 141.55 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.237 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -156.99 151.78 25.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.634 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -78.55 142.78 37.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.757 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.7 t -153.41 142.05 20.91 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.139 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.9 27.01 2.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.073 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -46.35 117.48 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.292 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -78.98 146.44 68.0 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.198 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.83 148.84 46.8 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 123.022 2.481 . . . . 0.0 112.026 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 64.6 tttp -80.8 129.59 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.375 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 92' ' ' LYS . 29.1 ttm-85 76.98 128.64 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.349 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.4 m -139.33 55.33 1.69 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.782 0.325 . . . . 0.0 110.761 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.35 -123.79 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 72.61 -52.0 0.7 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.823 0.344 . . . . 0.0 110.364 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -153.16 137.71 16.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.462 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -154.74 154.61 33.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.55 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -146.56 -40.12 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.152 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.73 1.04 7.44 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.932 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -108.82 14.67 24.11 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.523 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 87.0 t -108.59 -83.38 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.694 0.283 . . . . 0.0 111.312 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -61.35 -47.59 85.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.373 . . . . 0.0 110.92 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -62.88 -37.68 87.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -59.42 -40.54 87.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.389 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.2 tp -84.68 76.41 10.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' A' ' 109' ' ' ASP . 34.4 t70 -167.46 -110.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' N ' ' CG ' ' A' ' 107' ' ' ASP . 97.0 mtt-85 54.81 -81.28 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.591 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 107' ' ' ASP . 63.4 t0 -61.48 -39.1 89.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.42 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 mm -73.92 124.08 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.389 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.72 140.98 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 79.3 p -110.35 102.21 10.88 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.77 0.319 . . . . 0.0 110.786 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -165.18 136.8 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.531 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -141.13 114.27 8.59 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 110.725 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -85.14 68.61 10.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.212 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.46 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.793 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.11 135.27 49.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.725 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.659 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.16 139.75 58.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.703 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 304' ' ' LYS . . . . . 0.483 ' O ' ' O ' ' B' ' 305' ' ' PRO . 62.2 mttp -70.95 150.99 95.09 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 305' ' ' PRO . . . . . 0.483 ' O ' ' O ' ' B' ' 304' ' ' LYS . 68.1 Cg_exo -42.18 177.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 123.223 2.616 . . . . 0.0 112.077 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -54.5 138.58 59.96 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.29 151.79 60.62 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 123.136 2.557 . . . . 0.0 112.235 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -87.6 86.28 7.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.143 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 309' ' ' ASN . . . . . 0.432 ' OD1' HD22 ' A' ' 67' ' ' LEU . 65.4 t30 -142.99 128.31 18.82 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.863 0.364 . . . . 0.0 110.781 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -66.16 -29.14 69.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.705 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.621 ' CD1' HD21 ' A' ' 67' ' ' LEU . 7.7 m-85 -83.84 -177.44 6.69 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -109.0 22.71 15.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.183 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 313' ' ' ILE . . . . . 0.542 HD12 ' CD1' ' A' ' 67' ' ' LEU . 77.6 mt -86.98 115.74 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 13.2 mmt -81.59 149.98 65.64 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.721 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.53 154.2 68.98 Favored 'Trans proline' 0 N--CA 1.502 2.003 0 C-N-CA 123.087 2.525 . . . . 0.0 112.097 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -111.93 172.49 14.88 Favored Glycine 0 N--CA 1.469 0.842 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 74.9 m -61.97 -28.7 69.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.896 0.379 . . . . 0.0 110.483 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -57.53 -27.6 62.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.568 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.6 t90 -59.68 -21.58 60.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.094 0.473 . . . . 0.0 111.295 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 58.12 -4.93 0.05 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 77.34 20.71 74.51 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.36 150.48 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.664 0.269 . . . . 0.0 110.375 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -69.16 128.61 37.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.401 ' NE ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -140.36 135.59 32.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.746 0.308 . . . . 0.0 110.443 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 325' ' ' SER . . . . . 0.442 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 51.0 m -137.77 153.61 49.68 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.649 0.261 . . . . 0.0 110.849 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -87.02 -0.66 57.0 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.678 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . 96.28 -153.88 20.61 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -55.49 -21.33 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.684 0.278 . . . . 0.0 110.657 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.79 -24.21 56.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.86 0.362 . . . . 0.0 110.766 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.89 -19.07 26.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.419 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -54.36 -27.51 36.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -60.89 -46.03 92.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.18 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -66.26 -39.8 89.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.445 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.15 98.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -63.43 -44.71 93.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.44 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -64.5 -38.0 89.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.437 . . . . 0.0 110.944 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -69.32 -42.35 75.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.221 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -70.49 -46.3 64.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.974 0.416 . . . . 0.0 111.739 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 19.5 tt -66.66 -35.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.977 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -84.2 99.75 10.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.304 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -99.3 -43.07 6.73 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.6 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.02 -12.8 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.649 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 35.4 mtt -74.38 66.07 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.589 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.35 -13.13 73.54 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -91.68 -4.39 55.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.754 0.311 . . . . 0.0 110.504 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -141.81 132.47 25.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.545 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -149.77 119.61 7.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.584 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -112.1 -158.2 0.64 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.742 0.306 . . . . 0.0 110.497 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 56.44 40.13 29.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.606 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -83.9 61.97 6.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.351 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.94 118.67 18.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.652 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -133.88 141.5 47.4 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.536 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.43 144.75 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.303 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -95.52 113.11 24.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.054 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.3 mt -104.15 123.82 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.527 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.13 -177.54 15.07 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 61.36 29.14 18.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.565 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -102.24 140.28 36.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.216 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -68.96 135.67 51.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -56.47 -20.79 21.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.436 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.77 -31.77 73.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.564 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.91 126.47 27.43 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.2 p -97.66 174.36 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.476 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.74 -43.35 94.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.346 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.71 -39.3 97.36 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.57 -43.58 97.13 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 110.753 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.67 -43.87 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.247 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' ' OG ' ' A' ' 32' ' ' SER . 7.8 mt -57.13 -48.12 79.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.784 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.1 m -61.57 -41.77 97.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.043 0.449 . . . . 0.0 110.575 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.94 -45.66 97.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.03 -13.28 44.89 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 27.0 m -51.24 -54.56 24.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.847 0.356 . . . . 0.0 111.906 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 83.5 tt0 -62.41 -19.52 63.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CZ ' ' OD1' ' A' ' 71' ' ' ASN . 48.7 m-85 -107.94 33.57 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.42 74.98 1.21 Allowed Glycine 0 C--N 1.341 0.846 0 C-N-CA 120.304 -0.951 . . . . 0.0 111.708 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.5 p -51.87 112.71 3.43 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-O 121.361 0.6 . . . . 0.0 110.649 -177.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HG2' HD11 ' A' ' 57' ' ' LEU . 33.7 Cg_exo -55.33 160.15 9.2 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 123.225 2.616 . . . . 0.0 111.868 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.1 m -90.82 -25.04 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.592 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -169.24 151.33 4.59 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.6 146.22 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.235 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.1 mt -105.46 117.6 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.325 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -110.33 98.95 8.06 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.468 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.6 m -78.43 146.73 34.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.675 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -155.01 149.01 25.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.584 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 49' ' ' GLY . 64.9 t0 -87.7 116.98 26.21 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.529 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -63.87 -21.12 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.739 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -61.54 -40.07 93.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.351 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 50' ' ' GLU . 1.6 t -119.43 -7.2 10.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.775 0.322 . . . . 0.0 110.51 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 77.03 20.25 76.12 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.407 ' H ' HG23 ' A' ' 48' ' ' THR . 24.7 pt-20 -170.58 168.56 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.735 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.5 t -139.89 -151.49 0.37 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.68 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.15 -10.42 57.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.417 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.37 16.23 53.57 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -83.62 148.81 26.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.758 0.313 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.62 153.32 29.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -105.99 120.99 43.19 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.069 0.462 . . . . 0.0 110.11 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.618 HD23 ' C ' ' A' ' 57' ' ' LEU . 9.6 tt -100.14 122.08 42.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.51 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -91.13 121.67 33.11 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.724 0.297 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.417 ' CD2' HG22 ' A' ' 65' ' ' THR . 0.4 OUTLIER -100.52 135.21 42.31 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.782 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.31 -43.18 98.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.445 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -126.35 138.66 53.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.71 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.02 -35.56 81.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.9 -37.59 79.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.788 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -62.38 -36.57 82.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.98 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 69' ' ' VAL . 38.7 p -55.09 -30.98 60.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.348 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.44 -44.65 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.639 HD21 ' CD1' ' B' ' 311' ' ' PHE . 32.3 mt -59.79 -51.09 71.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.233 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.63 -47.78 77.27 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.075 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 75.7 t -63.64 -52.55 56.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.175 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.82 -29.85 70.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.906 0.384 . . . . 0.0 111.824 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.558 ' OD1' ' CZ ' ' A' ' 34' ' ' TYR . 23.4 t-20 -84.54 -48.91 9.08 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.443 HD12 HD22 ' A' ' 82' ' ' LEU . 4.4 mm? -77.35 -28.87 53.17 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.828 0.347 . . . . 0.0 111.478 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 51.7 t30 -68.7 116.07 8.78 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.933 0.397 . . . . 0.0 110.465 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.59 -0.65 63.36 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' CD1' ' HA ' ' B' ' 326' ' ' ASN . 34.3 t80 -94.2 127.25 39.93 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.794 0.331 . . . . 0.0 110.277 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -83.46 123.3 29.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.4 HG13 ' CD2' ' A' ' 75' ' ' PHE . 22.4 mt -133.3 119.29 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.408 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.45 15.28 81.14 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.72 7.88 64.29 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -141.97 151.9 42.96 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.65 0.262 . . . . 0.0 110.775 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.46 146.85 24.97 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.032 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.443 HD22 HD12 ' A' ' 72' ' ' LEU . 6.0 mp -78.16 156.47 29.85 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.548 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -127.06 101.87 6.73 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 mt -121.78 147.12 25.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.319 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -157.47 164.45 37.42 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -88.54 119.77 29.31 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.676 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.759 HG23 ' H ' ' A' ' 89' ' ' TYR . 14.9 t -109.14 -21.21 12.7 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.822 0.344 . . . . 0.0 110.577 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 42.38 31.19 0.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.653 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.759 ' H ' HG23 ' A' ' 87' ' ' THR . 36.1 t80 -62.16 139.18 58.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.2 ttt85 -97.63 111.57 59.06 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.792 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.51 137.21 48.93 Favored 'Trans proline' 0 N--CA 1.503 2.036 0 C-N-CA 123.329 2.686 . . . . 0.0 111.923 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt 54.05 92.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.65 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -52.98 134.36 37.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.3 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.3 t -65.14 138.36 58.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.542 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 95' ' ' LEU . 3.1 tt -116.29 106.82 14.1 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.211 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 98' ' ' TYR . 64.1 tt0 -139.67 142.73 36.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.565 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.505 ' C ' ' H ' ' A' ' 99' ' ' TYR . 39.1 tptt 60.79 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.217 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.505 ' CD2' ' O ' ' A' ' 98' ' ' TYR . 32.2 t80 49.11 9.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.813 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' ' 97' ' ' LYS . 2.0 t80 -82.79 -43.43 16.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -84.43 -13.23 52.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.483 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.36 7.08 40.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.657 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 99' ' ' TYR . 55.2 t -59.2 -47.73 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.494 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -171.03 -62.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -78.51 132.96 37.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 107' ' ' ASP . 4.3 pt-20 -135.06 111.68 9.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.226 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 106' ' ' LEU . 10.5 mp 54.48 6.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.106 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 105' ' ' GLU . 98.9 m-20 -67.01 142.15 57.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.421 ' O ' HG12 ' A' ' 111' ' ' VAL . 83.8 mtp180 -128.4 5.13 5.7 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.874 0.368 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.57 -11.64 58.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.2 pt -56.34 -22.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 108' ' ' ARG . 5.4 p -98.1 143.84 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.459 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 92.2 p -155.46 159.05 39.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.537 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -127.55 13.3 7.0 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.627 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -92.96 16.1 13.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.554 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -69.5 -2.85 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.595 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.97 146.03 25.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -164.03 160.94 22.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.6 mptt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.389 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 63.4 t80 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.87 134.61 55.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.554 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.96 147.85 78.59 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.82 66.15 2.4 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.043 2.495 . . . . 0.0 111.976 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . 51.52 81.02 0.27 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.08 136.61 45.18 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.814 2.342 . . . . 0.0 112.048 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -93.06 152.33 19.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.617 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 309' ' ' ASN . . . . . 0.469 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 29.0 p30 -145.41 140.7 27.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -66.06 -41.14 91.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.476 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.639 ' CD1' HD21 ' A' ' 67' ' ' LEU . 15.6 m-85 -115.87 -178.77 3.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.978 0.418 . . . . 0.0 110.182 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -111.04 25.08 12.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 313' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 67' ' ' LEU . 88.7 mt -99.46 119.75 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.885 0.374 . . . . 0.0 110.526 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.86 149.58 60.07 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.201 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.63 156.02 64.8 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 123.265 2.644 . . . . 0.0 112.002 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -102.38 163.27 16.7 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 317' ' ' SER . . . . . 0.545 ' C ' ' H ' ' B' ' 319' ' ' TRP . 96.6 p -65.32 -31.81 73.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.013 0.435 . . . . 0.0 110.679 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 318' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 318' ' ' ARG . 17.0 ttp180 -66.0 9.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.519 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.639 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.0 t90 -81.71 -5.28 57.97 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.139 0.495 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 32.5 t0 63.37 -24.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.639 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 90.86 12.54 60.39 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.548 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 30.1 m -71.97 151.68 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 110.429 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -82.2 109.96 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.141 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -129.53 109.41 11.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 109.985 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 89.0 p -154.55 165.2 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.413 ' HA ' ' CD1' ' A' ' 75' ' ' PHE . 64.8 t-20 -117.89 126.31 52.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -56.59 -32.18 61.06 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -54.51 -45.75 73.36 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.532 ' HG3' ' HE1' ' B' ' 332' ' ' TRP . 72.7 tt0 -70.83 -30.9 67.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.107 0.479 . . . . 0.0 110.398 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -65.67 -23.64 66.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.834 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 8.3 ptmm? -48.37 -48.45 36.63 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.339 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 332' ' ' TRP . . . . . 0.589 ' CZ2' ' CD2' ' B' ' 333' ' ' PHE . 61.6 p-90 -87.24 -36.7 17.8 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.143 0.497 . . . . 0.0 110.935 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 333' ' ' PHE . . . . . 0.589 ' CD2' ' CZ2' ' B' ' 332' ' ' TRP . 0.1 OUTLIER -60.07 -36.3 77.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 334' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' B' ' 338' ' ' GLU . . . -61.4 -46.94 88.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.286 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -66.12 -34.29 77.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.687 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.91 -43.24 99.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.108 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.37 -41.59 98.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.418 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' B' ' 338' ' ' GLU . 0.2 OUTLIER -63.54 -42.41 98.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.662 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.11 123.8 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -159.12 150.71 20.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.475 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 39.87 -113.98 0.16 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.648 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.346 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.11 137.7 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.1 tpt -79.36 -58.93 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.951 0.405 . . . . 0.0 110.68 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.2 -123.54 2.22 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 56.85 39.53 29.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.778 0.323 . . . . 0.0 110.604 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -157.64 136.27 11.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -149.52 -80.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.561 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? 52.53 85.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -132.05 45.04 2.83 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 110.69 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -146.3 45.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.408 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.22 143.08 41.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.74 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -122.04 145.15 48.43 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.511 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.418 HD12 HD23 ' A' ' 57' ' ' LEU . 1.4 mt -97.83 116.01 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -79.11 118.53 21.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.412 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.7 mt -108.77 121.09 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.586 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.03 -178.32 15.35 Favored Glycine 0 N--CA 1.469 0.839 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 55.43 37.39 28.82 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.767 0.317 . . . . 0.0 110.674 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -104.45 144.36 31.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.395 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 59.6 t-20 -81.45 140.3 34.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.603 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 8.1 ptp180 -60.65 -17.62 48.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.643 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.17 -14.51 63.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -87.86 132.81 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.43 -175.44 2.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 110.313 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -62.8 -40.52 97.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.351 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.4 -42.34 99.12 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.7 m-20 -61.72 -44.3 97.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.665 0.269 . . . . 0.0 110.676 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.63 -44.6 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' SER . 22.7 mt -58.23 -47.31 83.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.625 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.669 HG23 ' O ' ' B' ' 319' ' ' TRP . 55.2 m -61.11 -42.97 99.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.004 0.43 . . . . 0.0 111.216 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 26' ' ' ASP . 57.3 t -59.8 -47.87 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.025 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 72' ' ' LEU . 41.6 m-85 -87.3 -13.87 42.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 0.0 111.549 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 28' ' ' LEU . 19.6 t -45.91 -58.43 3.55 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -66.49 -12.01 55.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.118 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.617 ' CE2' ' ND2' ' A' ' 71' ' ' ASN . 53.0 m-85 -113.34 33.01 5.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' C ' ' CE1' ' A' ' 59' ' ' TYR . . . 100.88 71.94 0.96 Allowed Glycine 0 C--N 1.341 0.821 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.68 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.1 p -53.95 110.41 2.06 Favored Pre-proline 0 CA--C 1.543 0.685 0 CA-C-O 121.356 0.598 . . . . 0.0 110.529 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.05 151.28 51.17 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 123.159 2.573 . . . . 0.0 112.141 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.444 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 15.8 m -92.18 -20.99 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.026 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 38' ' ' VAL . 41.8 m-20 -158.19 127.53 5.77 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.517 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -112.43 127.46 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.406 HD12 ' OH ' ' A' ' 89' ' ' TYR . 80.6 mt -101.58 119.1 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.022 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.36 130.03 56.67 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.227 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -81.0 136.4 35.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.01 128.85 18.38 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.432 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 49' ' ' GLY . 97.8 m-20 -89.61 114.41 26.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.827 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -72.52 -22.58 61.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.659 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -64.87 -40.82 95.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.5 p -114.2 -25.84 8.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 87.92 6.75 75.37 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -114.52 -177.81 3.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.838 0.351 . . . . 0.0 110.569 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.7 p -151.42 159.04 44.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.542 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -65.56 -31.67 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.331 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.48 42.9 1.31 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -134.25 153.58 51.78 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.853 0.359 . . . . 0.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.57 160.18 42.38 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.599 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.14 140.1 44.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.494 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 13' ' ' ILE . 2.2 tp -111.62 139.89 46.69 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.018 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -131.04 114.46 15.2 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.414 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CE1' ' C ' ' A' ' 35' ' ' GLY . 69.9 t80 -112.49 166.01 11.71 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.97 0.414 . . . . 0.0 110.121 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 60.8 mm-40 -62.7 -48.18 80.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.937 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -113.33 116.81 30.29 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.931 0.396 . . . . 0.0 111.455 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 65' ' ' THR . 24.2 pt20 -56.41 -19.49 15.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 110.68 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -63.79 -36.01 82.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -60.82 -21.83 63.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.774 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 69' ' ' VAL . 38.9 p -59.06 -34.08 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.992 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.35 -43.32 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.411 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.16 -47.68 84.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.82 90.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.964 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 65' ' ' THR . 42.7 t -56.81 -67.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.423 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -56.67 -42.74 79.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.952 0.405 . . . . 0.0 111.986 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.617 ' ND2' ' CE2' ' A' ' 34' ' ' TYR . 34.3 t30 -63.27 -45.62 90.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 84.2 mt -90.94 -16.78 27.49 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 36.2 t30 -74.4 117.04 15.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.576 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.43 6.66 68.1 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -99.67 125.93 45.6 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 110.309 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -84.96 124.73 32.01 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 79' ' ' GLY . 71.0 mt -133.24 127.88 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.2 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.32 -39.14 1.43 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 77' ' ' ILE . . . 156.25 -8.71 0.27 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -127.1 152.85 46.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.711 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.48 131.19 35.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.67 135.78 56.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.64 100.71 9.45 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.352 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mm -98.93 127.34 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -145.32 152.41 39.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -82.96 136.55 34.5 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.684 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.1 t -149.22 159.2 44.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.677 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -139.9 36.86 1.97 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.74 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.406 ' OH ' HD12 ' A' ' 41' ' ' ILE . 6.9 p90 -51.51 152.92 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.387 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -71.41 120.26 78.73 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.14 161.11 1.72 Allowed 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 123.124 2.549 . . . . 0.0 112.108 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -134.79 158.55 43.9 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.571 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -157.53 160.16 37.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.9 m -131.12 145.73 52.09 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 tp -158.5 -1.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.432 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -62.46 -39.12 92.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.656 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -59.64 -43.82 93.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -71.55 -39.59 70.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.81 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.611 ' O ' HG12 ' A' ' 102' ' ' VAL . 91.2 t80 -51.43 -48.49 62.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.247 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.75 -36.37 73.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.31 -17.78 61.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.994 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 99' ' ' TYR . 4.3 p -51.3 -29.75 9.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.637 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -141.54 -42.6 0.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -105.79 101.28 10.8 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.192 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -62.44 -41.25 98.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.8 tp -167.2 20.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.545 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -83.25 89.45 6.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.586 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -97.54 -169.97 1.93 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -72.43 46.71 0.15 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.1 tp -57.63 -27.32 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.48 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.8 m -63.98 -17.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.654 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.7 m -60.47 112.61 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.615 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.427 ' O ' ' OD1' ' A' ' 115' ' ' ASN . 98.2 mttt 43.92 33.01 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.628 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 48.97 -110.17 0.38 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.55 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 113' ' ' LYS . 16.3 m120 51.19 -152.15 0.21 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -162.18 150.2 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -136.55 147.41 47.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.509 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.555 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.18 140.98 58.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.561 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 304' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 305' ' ' PRO . 68.9 mttm -76.22 149.3 81.92 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 305' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' B' ' 304' ' ' LYS . 52.0 Cg_exo -48.88 -169.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 123.061 2.508 . . . . 0.0 112.152 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' B' ' 307' ' ' PRO . . . -70.63 158.44 87.87 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.636 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 307' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' B' ' 306' ' ' ALA . 44.4 Cg_endo -68.31 151.72 76.19 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.803 2.335 . . . . 0.0 111.994 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.94 168.02 11.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -80.01 130.51 35.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.724 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -87.26 -50.01 6.88 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.772 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -76.76 113.16 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.265 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -92.98 71.47 4.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.441 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.6 mt -71.7 125.82 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 314' ' ' MET . . . . . 0.599 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.6 pmm? -72.0 157.38 89.58 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.233 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.84 152.09 80.66 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.991 2.461 . . . . 0.0 112.275 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -104.33 164.42 14.87 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 317' ' ' SER . . . . . 0.491 ' C ' ' H ' ' B' ' 319' ' ' TRP . 42.5 t -62.44 -43.31 99.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.928 0.394 . . . . 0.0 110.791 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -65.88 6.04 0.41 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.669 ' O ' HG23 ' A' ' 29' ' ' THR . 23.0 t90 -68.51 -21.57 64.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.241 0.543 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 22.5 t0 67.23 -33.5 0.21 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.7 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 109.61 12.73 18.36 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.531 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 83.9 t -86.62 123.64 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.172 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 124.43 30.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.344 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -139.29 107.32 5.71 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.752 0.31 . . . . 0.0 110.226 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 87.0 p -158.38 166.02 33.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.582 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 71' ' ' ASN . 40.5 p-10 -143.51 8.82 1.57 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.76 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.01 109.62 3.46 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -63.79 -46.83 83.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.033 0.444 . . . . 0.0 110.541 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 47.2 mt-10 -58.09 -20.4 39.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.392 0.615 . . . . 0.0 111.052 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -54.58 -20.31 7.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.701 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.475 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.0 OUTLIER -56.35 -62.8 1.47 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.419 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 332' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' B' ' 329' ' ' GLU . 49.0 p-90 -70.12 -26.19 63.84 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 110.593 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -74.59 -40.3 61.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.184 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.05 96.65 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -65.77 -38.97 90.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.638 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -61.03 -43.02 99.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.342 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 337' ' ' ASN . . . . . 0.486 ' O ' ' OD1' ' B' ' 340' ' ' ASN . 69.3 m-80 -76.05 -26.48 56.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.179 0.514 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -66.6 -38.61 87.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.992 0.425 . . . . 0.0 111.033 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 44.6 pt -79.03 12.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.606 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 340' ' ' ASN . . . . . 0.533 ' C ' ' OD1' ' B' ' 340' ' ' ASN . 25.3 p30 -117.93 2.85 12.18 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -64.17 157.7 24.94 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt . . . . . 0 C--O 1.221 -0.397 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.575 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.85 47.08 25.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.354 . . . . 0.0 110.532 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.8 mmt -62.14 -40.48 96.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.371 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.39 -133.55 52.64 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -102.68 7.63 39.74 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.704 0.288 . . . . 0.0 110.461 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -91.72 139.46 30.65 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.456 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -149.4 34.83 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -75.78 79.87 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.309 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -167.42 21.56 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.687 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -93.42 100.72 12.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.17 145.87 24.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.149 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -123.72 138.09 54.58 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.755 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.5 pt -130.2 154.66 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.945 0.402 . . . . 0.0 110.318 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -94.89 125.95 39.89 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.725 HD11 HD11 ' A' ' 57' ' ' LEU . 58.3 mt -120.49 103.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.05 177.18 16.38 Favored Glycine 0 N--CA 1.47 0.964 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.456 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 28.0 t-20 61.05 42.23 12.81 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.844 0.354 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.404 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -105.2 157.49 17.25 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.183 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -82.6 138.98 34.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.258 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -59.61 -24.58 63.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -62.08 -28.48 69.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.633 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.3 mp -72.29 127.14 31.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -107.02 -171.87 1.97 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.54 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.9 -42.28 93.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.02 98.71 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 30' ' ' VAL . 96.5 m-20 -62.56 -44.42 96.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.844 0.355 . . . . 0.0 110.774 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.59 -45.46 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 32' ' ' SER . 25.0 mt -61.33 -47.33 86.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.539 HG23 ' O ' ' B' ' 319' ' ' TRP . 17.1 m -61.97 -40.89 97.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 0.0 111.108 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 26' ' ' ASP . 73.3 t -61.88 -50.62 79.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.738 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -87.5 -15.44 37.57 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.106 0.479 . . . . 0.0 111.751 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.0 t -45.94 -55.62 6.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.75 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.504 ' OE1' ' CE2' ' B' ' 319' ' ' TRP . 24.4 pt-20 -64.1 -11.86 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -112.77 33.99 4.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.4 69.89 0.99 Allowed Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.022 -1.085 . . . . 0.0 111.362 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 36' ' ' VAL . 4.7 p -55.54 127.93 67.23 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.922 -177.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.6 161.84 41.19 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 123.569 2.846 . . . . 0.0 111.756 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.425 ' H ' HG22 ' A' ' 38' ' ' VAL . 15.7 m -88.81 -13.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.715 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -168.72 148.46 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.789 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 40' ' ' VAL . 5.1 m -123.32 130.09 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -94.76 112.32 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.538 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mp -115.89 96.26 5.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.503 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.4 t -74.39 132.77 42.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.125 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.8 mtt-85 -124.18 132.12 53.59 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.824 0.345 . . . . 0.0 110.92 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 61.8 t0 -80.58 146.83 31.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 55.7 mp0 -68.9 -38.96 79.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.94 0.4 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.04 -41.44 99.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.414 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -95.03 -39.1 10.33 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.021 0.438 . . . . 0.0 111.029 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 86.92 11.07 70.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.42 172.27 15.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.759 0.314 . . . . 0.0 110.56 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -71.42 148.15 47.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.678 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -75.66 3.49 9.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.239 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.14 39.91 1.75 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -151.74 151.3 31.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.717 0.294 . . . . 0.0 110.612 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.65 163.1 35.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.739 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -136.72 122.21 19.55 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.839 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.884 HD12 ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -106.11 138.35 42.45 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.764 0.316 . . . . 0.0 110.307 -179.769 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -84.27 105.14 14.89 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.77 138.29 37.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.59 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 36' ' ' VAL . 45.7 mp0 -70.49 -43.24 70.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.35 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -119.25 124.91 47.88 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.117 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.56 -34.59 77.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.504 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' N ' ' CD ' ' A' ' 63' ' ' ARG . 11.6 mpt_? -59.18 -33.06 70.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.313 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.1 t -59.56 -37.87 79.6 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.755 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.7 p -57.2 -33.57 67.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.683 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.06 -40.36 88.73 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 CA-C-O 120.987 0.422 . . . . 0.0 110.419 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' B' ' 311' ' ' PHE . 44.1 mt -69.5 -38.34 77.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.939 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.72 87.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.026 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.516 HG23 ' N ' ' A' ' 70' ' ' ASP . 25.7 m -74.7 -42.76 47.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 121.238 0.542 . . . . 0.0 111.058 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.516 ' N ' HG23 ' A' ' 69' ' ' VAL . 98.3 m-20 -59.08 -15.99 16.83 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.619 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' B' ' 326' ' ' ASN . 3.9 t30 -116.63 -49.07 2.66 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -78.75 -21.93 47.22 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 64.7 t30 -68.69 118.51 11.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.0 0.429 . . . . 0.0 110.523 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.58 10.34 67.74 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -104.14 117.28 33.88 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -67.61 125.89 27.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.771 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.2 tt -137.09 131.86 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.611 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.39 23.97 73.56 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.91 0.56 90.32 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.29 150.57 47.88 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.864 0.364 . . . . 0.0 110.655 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.05 120.02 33.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.591 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.63 151.82 34.16 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.486 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -110.39 115.81 30.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.441 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.502 ' CG2' HG12 ' A' ' 69' ' ' VAL . 1.3 mm -106.57 128.32 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.138 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 43.7 t0 -156.54 145.46 20.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.722 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.484 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -70.49 141.61 51.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.166 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 87' ' ' THR . 10.0 t -129.81 126.27 37.68 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.754 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -76.22 7.42 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.383 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -53.9 120.88 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -98.04 149.51 35.81 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.68 129.69 25.71 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 123.037 2.491 . . . . 0.0 111.756 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -77.51 136.9 38.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 74.58 45.66 0.17 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.2 m -128.49 117.8 21.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.51 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.7 tp -160.43 103.19 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.428 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.451 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 3.9 mp0 -100.14 -44.51 5.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.746 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.503 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 26.8 ttmt -169.14 13.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 97' ' ' LYS . 36.8 p90 34.85 40.44 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.028 0.442 . . . . 0.0 110.689 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -56.76 -32.1 65.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.59 -22.46 13.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.46 84.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.7 m -96.09 20.72 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.909 0.385 . . . . 0.0 111.265 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -81.23 24.15 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.281 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 53.55 40.57 31.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.578 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -65.36 -42.71 92.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.464 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.27 -39.42 11.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 109' ' ' ASP . 59.6 m-20 -61.7 -156.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.419 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 57.42 -81.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.063 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 107' ' ' ASP . 97.0 m-20 -67.24 -40.01 86.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.153 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 111' ' ' VAL . 25.9 mt 53.82 165.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.342 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.484 ' N ' HG22 ' A' ' 110' ' ' ILE . 13.8 m -59.43 -23.34 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.5 m -69.86 -21.52 63.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.473 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.7 mttp 56.98 -124.8 1.82 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -100.11 20.27 14.83 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.862 0.363 . . . . 0.0 110.738 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 34.8 m120 54.84 37.83 29.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -17.64 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -61.43 -38.86 88.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.308 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.0 pttt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.567 179.859 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -77.05 120.89 22.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -91.67 146.8 33.83 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.54 -174.74 1.55 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 123.151 2.568 . . . . 0.0 111.914 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -116.87 149.28 43.78 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.31 148.13 60.84 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 123.019 2.479 . . . . 0.0 112.006 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 308' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' B' ' 308' ' ' GLU . 0.8 OUTLIER -147.83 150.64 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.462 179.672 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -80.36 127.76 32.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.66 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -87.64 -22.76 24.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -109.3 171.86 7.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.085 -179.376 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -137.65 70.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.365 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 83.3 mt -93.78 128.37 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.717 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 25.8 mmt -83.78 147.97 53.2 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.66 154.74 59.52 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 123.195 2.597 . . . . 0.0 112.14 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -99.44 173.89 26.58 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 69.0 m -68.78 -28.9 67.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.367 . . . . 0.0 110.642 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -58.93 -16.78 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.709 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.539 ' O ' HG23 ' A' ' 29' ' ' THR . 20.9 t90 -60.07 -25.25 65.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.107 0.479 . . . . 0.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 24.0 t0 65.79 -11.47 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 80.93 13.68 80.82 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.452 ' CG1' HG22 ' A' ' 29' ' ' THR . 9.6 p -53.96 151.88 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 120.677 0.275 . . . . 0.0 110.815 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.86 106.2 3.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.958 0.408 . . . . 0.0 110.677 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -137.97 149.66 46.33 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.527 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 99.0 p -81.65 142.6 32.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.899 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.438 ' HA ' ' ND2' ' A' ' 71' ' ' ASN . 2.9 m-80 -150.17 179.6 7.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -73.76 77.28 0.95 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -62.41 -23.37 66.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.768 0.318 . . . . 0.0 110.358 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -56.64 -19.6 17.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -48.21 -34.88 10.84 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.447 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -28.74 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.275 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 332' ' ' TRP . . . . . 0.64 ' CH2' ' NE2' ' B' ' 336' ' ' GLN . 18.1 t90 -62.61 -44.78 95.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.134 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.27 -39.36 86.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.247 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.693 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.85 -42.37 99.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.51 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 336' ' ' GLN . . . . . 0.64 ' NE2' ' CH2' ' B' ' 332' ' ' TRP . 87.1 mt-30 -61.87 -43.23 99.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -65.75 -39.99 91.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.69 -49.12 78.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.786 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.65 -45.63 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.81 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -85.87 110.41 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -80.35 115.94 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.179 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.568 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.63 155.32 37.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.816 0.341 . . . . 0.0 110.583 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.2 ttm -84.72 129.27 34.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.2 60.27 8.6 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 6' ' ' GLU . 56.7 t30 -51.3 111.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 0.0 110.748 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 5' ' ' ASN . 69.0 mm-40 48.86 177.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.631 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -135.0 149.51 50.19 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.4 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -47.27 112.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -143.96 128.71 18.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.505 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -102.77 5.9 39.05 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.63 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 12' ' ' TYR . . . -64.29 121.81 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' A' ' 11' ' ' ALA . 15.0 m-85 -158.4 136.0 10.32 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -118.44 130.08 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.761 0.315 . . . . 0.0 110.16 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -88.22 127.97 35.45 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.816 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.8 mt -121.27 108.55 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.138 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.98 174.39 15.55 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 57.4 40.03 27.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.761 0.315 . . . . 0.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.9 155.03 18.95 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.371 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -80.81 128.63 33.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.327 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -61.05 -22.58 64.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.37 -27.61 68.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.3 mp -77.99 128.93 34.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.2 p -96.04 -178.25 4.28 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -61.96 -42.18 98.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.409 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.32 -42.08 99.68 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -63.77 -47.27 81.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.759 0.314 . . . . 0.0 110.707 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.28 -43.26 97.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.584 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' SER . 18.2 mt -55.73 -45.94 77.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.401 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.604 HG23 ' O ' ' B' ' 319' ' ' TRP . 84.4 m -62.61 -40.74 97.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.412 . . . . 0.0 111.104 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.09 -48.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -86.8 -14.82 41.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.391 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LEU . 14.3 t -47.73 -57.53 5.44 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 34' ' ' TYR . 20.8 pt-20 -66.62 -11.77 55.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.496 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.521 ' CZ ' ' OD1' ' A' ' 71' ' ' ASN . 20.3 m-85 -114.04 33.62 5.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.33 70.51 0.89 Allowed Glycine 0 C--N 1.341 0.816 0 C-N-CA 120.147 -1.025 . . . . 0.0 111.631 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.3 p -56.9 122.52 53.17 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-O 120.987 0.422 . . . . 0.0 110.635 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.16 159.11 44.64 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 123.013 2.475 . . . . 0.0 112.38 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.4 m -98.53 -12.64 8.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.135 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -159.64 133.59 7.4 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 t -126.79 127.6 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -93.39 120.3 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 120.872 0.368 . . . . 0.0 110.724 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 42' ' ' LEU . 4.0 mm? -100.35 97.79 8.51 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.99 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -76.2 154.78 35.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.721 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -154.98 145.85 22.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 60.5 t0 -88.69 110.01 20.61 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.546 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -70.36 -18.84 63.07 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.566 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.72 -39.39 91.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.124 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.19 -6.82 9.9 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.341 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 68.95 32.96 73.86 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -148.83 136.27 20.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.828 0.347 . . . . 0.0 110.651 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.4 p -72.67 159.73 33.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.484 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -94.54 -4.32 48.18 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.671 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.69 40.98 3.24 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -142.32 148.92 38.77 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.719 0.295 . . . . 0.0 110.571 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.59 166.73 31.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.632 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -113.21 135.92 53.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.791 0.329 . . . . 0.0 110.623 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.35 133.51 50.93 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.193 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -114.75 110.05 19.13 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.697 0.284 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.522 ' CD2' ' OG ' ' A' ' 64' ' ' SER . 70.6 t80 -110.66 170.82 7.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.882 0.372 . . . . 0.0 110.084 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 39.2 tp10 -71.44 -56.68 5.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -109.82 122.56 47.79 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.944 0.402 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.402 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 13.9 pm0 -58.4 -14.93 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.275 0.56 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 mtm-85 -69.74 -26.0 64.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.522 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 92.7 p -67.61 -19.14 65.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.052 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 69' ' ' VAL . 76.6 p -60.36 -27.11 67.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.0 -39.01 79.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.373 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' B' ' 311' ' ' PHE . 13.1 mt -58.62 -63.45 1.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.499 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.0 89.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.986 0.422 . . . . 0.0 112.0 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 65' ' ' THR . 40.6 t -53.97 -53.67 26.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 59.8 p30 -87.61 -11.27 49.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.524 ' C ' HD22 ' B' ' 326' ' ' ASN . 25.3 t-20 -94.05 -34.54 12.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.41 HD12 HD21 ' A' ' 82' ' ' LEU . 3.8 mm? -97.92 -27.92 14.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.678 0.275 . . . . 0.0 111.413 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -63.54 129.85 41.9 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.783 0.325 . . . . 0.0 110.534 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.34 3.17 67.42 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' B' ' 325' ' ' SER . 37.9 t80 -106.6 125.33 50.87 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 110.09 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -87.85 131.53 34.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.364 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.7 mt -131.64 126.34 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 120.797 0.332 . . . . 0.0 110.804 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.19 24.78 70.69 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.424 ' O ' ' CZ ' ' A' ' 80' ' ' ARG . . . 89.11 -10.53 72.63 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.424 ' CZ ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -125.66 146.48 49.71 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.423 -179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.58 126.68 45.61 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.663 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -73.04 150.97 41.93 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.899 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -110.85 123.91 51.04 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.48 113.32 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -131.2 143.94 50.97 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.844 0.354 . . . . 0.0 110.537 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' NE2' HG21 ' A' ' 69' ' ' VAL . 17.6 m-70 -74.52 144.3 44.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.373 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 p -117.64 176.65 5.08 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.259 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 70.3 t80 -159.69 31.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.62 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -96.57 133.32 41.21 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.344 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -82.28 118.07 70.65 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.773 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 12' ' ' TYR . 65.7 Cg_exo -49.59 131.18 27.8 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 123.037 2.491 . . . . 0.0 112.145 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' A' ' 93' ' ' ARG . 11.5 ptmm? -149.71 -47.88 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.429 ' N ' ' CG ' ' A' ' 92' ' ' LYS . 77.1 ttt-85 57.14 98.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.422 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 96' ' ' GLN . 70.3 m -65.34 -177.58 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.683 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.0 mt 57.92 2.51 0.18 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.572 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' A' ' 94' ' ' SER . 56.5 tt0 -89.77 -55.08 3.78 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.249 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -101.93 43.29 1.08 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.362 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.19 -35.69 79.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.3 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -53.6 -48.42 69.28 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.003 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.84 -39.66 95.05 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.99 85.65 7.13 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.546 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.11 -21.99 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.572 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -98.83 14.84 27.45 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.692 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 55.76 69.43 0.74 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.096 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -93.17 -55.27 3.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.503 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 106' ' ' LEU . 10.3 mp -83.24 -16.72 45.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.448 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.17 139.91 58.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' O ' HG12 ' A' ' 111' ' ' VAL . 99.3 mtt180 -105.51 20.98 17.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.634 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.42 -26.74 68.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.479 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 43.4 pt -72.75 -7.86 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.658 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 111' ' ' VAL . 8.6 p -46.4 129.73 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.3 m -138.91 1.47 2.07 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.87 0.367 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -79.2 154.06 29.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -83.2 115.85 22.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -62.1 -25.36 67.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.34 87.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.02 131.01 44.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.467 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.482 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 89.1 t80 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -64.18 153.17 38.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.465 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -86.99 133.71 38.55 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.02 95.23 0.97 Allowed 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 123.126 2.551 . . . . 0.0 112.347 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . 45.8 85.94 0.15 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.787 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.68 137.0 66.54 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.763 2.309 . . . . 0.0 112.106 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -104.66 136.79 43.52 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 309' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 56.0 p30 -148.05 155.49 41.55 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.382 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -70.83 -44.99 65.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.421 ' CD1' HD21 ' A' ' 67' ' ' LEU . 75.5 m-85 -142.87 154.3 44.0 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.51 25.94 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 96.0 mt -97.04 117.55 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.4 mmt -92.96 146.83 32.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.9 138.84 41.68 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.775 2.317 . . . . 0.0 112.186 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -88.76 176.37 44.34 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 93.8 p -64.36 -23.77 67.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.69 -18.08 63.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' THR . 17.4 t90 -59.83 -20.59 57.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 30.7 t0 64.24 -27.61 0.09 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.422 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.595 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 110.02 10.59 22.27 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.574 ' C ' ' HE1' ' B' ' 319' ' ' TRP . 53.6 t -109.2 117.1 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-O 120.715 0.293 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -112.9 147.2 37.54 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.758 0.313 . . . . 0.0 110.736 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -98.45 127.76 44.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.106 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 325' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 75' ' ' PHE . 36.6 t -82.28 144.19 30.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.597 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.524 HD22 ' C ' ' A' ' 71' ' ' ASN . 36.3 t30 -147.78 -96.06 0.08 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.079 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -58.27 117.11 9.55 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -68.98 -22.82 64.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.746 0.308 . . . . 0.0 110.52 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.55 -21.0 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.632 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -51.81 -18.78 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.629 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -54.01 -27.97 35.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -62.24 -50.62 71.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.393 . . . . 0.0 110.271 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -65.37 -38.13 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.055 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.8 95.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.77 -43.45 98.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.027 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 336' ' ' GLN . . . . . 0.502 ' O ' HG22 ' B' ' 339' ' ' ILE . 20.0 mm100 -61.97 -42.26 98.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -70.88 -42.47 69.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -73.44 -13.17 61.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 339' ' ' ILE . . . . . 0.502 HG22 ' O ' ' B' ' 336' ' ' GLN . 20.4 tt -38.16 140.36 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.994 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -144.37 -146.23 0.18 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.497 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -112.75 130.39 56.09 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 110.394 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.514 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.411 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.02 138.97 58.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.325 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.7 -38.59 87.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.639 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.13 -39.74 96.24 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -91.29 108.31 19.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.6 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -79.8 -34.17 39.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.595 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -134.56 155.5 50.31 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.91 163.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 10' ' ' ASN . 54.7 p-10 -140.07 -2.98 1.43 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.677 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.448 ' O ' ' O ' ' A' ' 9' ' ' ASP . 62.0 m-80 58.28 126.15 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.12 149.92 38.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.582 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -122.08 148.96 44.22 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.918 0.389 . . . . 0.0 110.671 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 13' ' ' ILE . 2.0 mt -99.91 114.41 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -76.25 120.97 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.623 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.1 mt -116.82 120.95 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.167 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.77 -179.58 18.97 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.553 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER 63.91 22.69 13.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.812 HD23 ' H ' ' A' ' 18' ' ' LEU . 2.0 pt? -102.19 151.26 22.41 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.124 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -73.95 135.38 43.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -60.79 -18.21 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.626 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -62.93 -31.98 73.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.84 123.66 18.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.08 0.467 . . . . 0.0 110.328 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -88.69 171.08 10.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.577 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.94 -40.2 94.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.183 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.23 98.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 30' ' ' VAL . 65.7 t0 -60.76 -46.41 90.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.712 0.292 . . . . 0.0 110.618 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.78 -43.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.246 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.4 -43.18 83.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.161 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.599 ' CG2' HH21 ' B' ' 324' ' ' ARG . 86.3 m -62.94 -39.92 96.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.407 . . . . 0.0 110.43 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG22 ' NH1' ' B' ' 324' ' ' ARG . 80.3 t -64.26 -47.93 87.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.489 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.446 ' CD2' HD22 ' A' ' 57' ' ' LEU . 50.3 m-85 -82.93 -13.63 55.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.889 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.4 p -45.03 -59.33 2.65 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 12.3 pt-20 -72.85 -27.36 61.88 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.263 0.554 . . . . 0.0 112.143 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -92.89 35.38 1.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.266 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.53 69.93 0.93 Allowed Glycine 0 C--N 1.341 0.827 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.543 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.3 p -55.84 120.61 34.42 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.784 -177.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -75.91 157.82 38.81 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 123.209 2.606 . . . . 0.0 112.569 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -93.67 -14.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.225 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 64.0 t0 -163.28 136.71 5.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.678 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.431 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 65.6 t -126.48 130.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.486 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.5 mt -108.34 126.28 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.778 0.323 . . . . 0.0 110.998 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.78 142.95 37.02 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.232 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -59.09 154.91 14.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.427 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -105.61 167.94 9.43 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.783 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -56.77 152.08 13.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.593 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -57.97 -10.33 1.76 Allowed 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.709 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -61.33 -36.74 80.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.186 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.8 p -81.93 -13.42 57.54 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.24 6.45 36.44 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -113.25 131.76 55.79 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.84 0.352 . . . . 0.0 110.742 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.6 p -71.79 156.76 38.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 44.5 mt-30 -101.2 160.78 14.11 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.681 0.277 . . . . 0.0 110.975 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.36 23.14 9.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 5.2 m-85 -144.09 153.99 42.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.727 0.299 . . . . 0.0 110.59 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.65 164.02 39.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.672 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.469 ' CD2' ' CD2' ' A' ' 89' ' ' TYR . 84.7 m-85 -126.75 141.23 51.89 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD22 ' CD2' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -112.84 140.27 47.77 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.945 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -130.38 109.39 10.7 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.243 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -115.12 158.2 22.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 120.811 0.338 . . . . 0.0 110.244 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.65 -43.56 93.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.454 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -103.16 143.6 32.4 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -88.25 -12.83 42.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.086 0.47 . . . . 0.0 110.363 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -68.06 -30.59 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.794 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.7 p -62.5 -22.89 66.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.972 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 69' ' ' VAL . 62.8 p -61.33 -37.52 83.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.4 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.09 -45.12 91.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.001 0.429 . . . . 0.0 110.577 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.625 HD11 ' CD1' ' B' ' 311' ' ' PHE . 17.6 mt -64.42 -53.42 48.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.752 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.26 -37.58 67.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.805 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 65' ' ' THR . 52.2 t -60.95 -69.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.214 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 57.0 t0 -59.27 -33.1 70.65 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 23.6 m120 -67.77 -39.83 84.09 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.4 mt -107.33 -11.16 15.61 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 34.9 t30 -70.37 121.24 17.32 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 122.137 -0.352 . . . . 0.0 110.588 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.01 3.69 87.55 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -93.92 119.02 32.27 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -67.96 121.95 17.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.831 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 77' ' ' ILE . 15.5 tt -141.53 128.31 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.464 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.59 16.38 77.68 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.57 -8.02 79.2 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -136.98 159.58 41.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.609 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.94 129.02 45.24 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -84.76 155.0 22.04 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.24 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -111.48 122.41 47.77 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.425 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.3 mm -106.74 118.33 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.058 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -142.07 144.76 33.73 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.802 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -75.67 144.17 41.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.815 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.5 t -152.95 144.23 23.21 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.777 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -88.41 16.53 6.31 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.349 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.469 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 59.8 t80 -48.59 119.39 3.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.474 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -89.01 147.92 39.83 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.04 136.97 33.56 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.817 2.345 . . . . 0.0 111.977 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -105.98 125.13 50.63 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.887 0.375 . . . . 0.0 110.775 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.474 ' NH1' ' OE1' ' A' ' 96' ' ' GLN . 76.0 ttt-85 -164.53 119.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 m -157.05 -33.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.596 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 95' ' ' LEU . 11.2 mp -70.5 73.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.174 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.474 ' OE1' ' NH1' ' A' ' 93' ' ' ARG . 25.7 mt-30 -97.22 -68.19 0.81 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.744 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -108.44 9.59 27.57 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.638 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -58.03 -38.23 75.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -48.15 -21.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 101' ' ' ALA . 19.3 pt-20 -58.47 -41.89 86.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.522 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 100' ' ' GLU . . . -63.81 -36.42 83.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.53 -44.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.774 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -121.77 72.79 1.04 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.664 0.268 . . . . 0.0 111.479 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -175.95 -128.96 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.937 0.399 . . . . 0.0 110.275 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 107' ' ' ASP . 99.0 mt-10 42.99 -157.14 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.918 0.389 . . . . 0.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 106' ' ' LEU . 10.7 mp -54.76 90.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.324 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' GLU . 57.3 t0 -156.74 46.28 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -136.94 149.18 47.41 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.646 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.35 38.1 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 36.3 pt -95.65 13.48 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.673 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.8 p -130.03 140.1 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.893 0.378 . . . . 0.0 110.572 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.8 m 55.29 35.31 24.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.479 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -82.06 129.55 34.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.548 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -147.88 103.39 3.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.682 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -148.46 103.2 3.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.702 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -162.42 94.79 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.463 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 45.81 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.522 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -78.66 168.6 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.522 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.01 147.27 94.66 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.31 -76.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.743 2.295 . . . . 0.0 112.162 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' B' ' 307' ' ' PRO . . . -166.05 160.29 12.84 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.438 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 307' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' B' ' 306' ' ' ALA . 40.8 Cg_endo -67.59 146.19 72.81 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.665 2.243 . . . . 0.0 112.013 179.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 57.12 -173.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.625 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 309' ' ' ASN . . . . . 0.551 ' O ' ' ND2' ' B' ' 309' ' ' ASN . 0.4 OUTLIER -101.37 131.94 47.19 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.757 0.313 . . . . 0.0 110.73 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -88.91 -51.34 5.68 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.981 0.419 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.625 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -68.31 108.64 3.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.766 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.68 79.73 6.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.264 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 31.0 mm -60.99 126.95 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.52 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 314' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.8 OUTLIER -74.81 149.69 85.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.171 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.13 155.78 66.98 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.902 2.401 . . . . 0.0 112.071 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -116.01 161.55 12.88 Favored Glycine 0 N--CA 1.47 0.929 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 47.9 t -61.99 -42.16 98.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.003 0.43 . . . . 0.0 111.032 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -62.28 -4.56 1.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.557 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 17.7 t90 -68.19 -5.95 20.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.284 0.564 . . . . 0.0 110.99 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 54.12 2.08 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.004 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 69.28 19.73 74.47 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.545 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 84.0 t -80.54 132.9 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.737 0.303 . . . . 0.0 110.595 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -69.04 129.65 40.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.839 0.352 . . . . 0.0 111.016 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.599 HH21 ' CG2' ' A' ' 29' ' ' THR . 37.2 mmt180 -127.06 109.45 11.89 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 32.5 t -83.99 135.83 34.29 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.709 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.505 ' N ' ' OD1' ' B' ' 326' ' ' ASN . 1.6 p-10 -112.39 -35.58 5.53 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.406 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -172.46 160.8 32.19 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -69.92 -23.98 63.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -63.32 -20.32 65.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.0 -28.94 59.43 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.817 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -54.48 -28.81 47.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.395 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -60.85 -45.75 93.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.144 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 333' ' ' PHE . . . . . 0.472 ' CZ ' ' ND2' ' B' ' 309' ' ' ASN . 47.6 m-85 -63.93 -39.05 93.27 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.253 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.57 93.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.67 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -62.84 -47.92 81.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.616 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -62.47 -42.93 99.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -65.13 -37.59 87.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.926 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -59.33 -42.42 91.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.738 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 339' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 341' ' ' GLU . 40.3 pt -90.83 -21.69 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.893 0.378 . . . . 0.0 110.669 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 46.79 -90.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.359 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 341' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' B' ' 339' ' ' ILE . 45.0 mt-10 -131.77 140.56 49.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.661 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 62.3 pttt . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.694 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.17 119.48 6.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.557 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -129.35 64.97 1.47 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.602 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.55 -21.53 64.88 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -62.03 -35.28 78.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.6 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.04 -44.79 94.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.577 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -64.48 -45.47 87.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASP . 64.5 tttm -58.0 -36.09 72.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' LYS . 35.5 t70 -38.27 137.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.525 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.13 173.68 11.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.57 153.73 17.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.641 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.576 ' C ' ' HG1' ' A' ' 87' ' ' THR . 59.7 m-85 -121.74 153.17 38.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.613 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.3 pt -129.79 147.61 33.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.525 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -96.05 129.61 43.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' CD1' HD13 ' A' ' 57' ' ' LEU . 78.8 mt -122.12 119.22 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.414 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.29 -177.65 21.11 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 32.5 t-20 65.83 23.23 11.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.743 0.306 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.83 HD23 ' H ' ' A' ' 18' ' ' LEU . 1.8 pt? -105.23 159.88 15.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -69.92 128.87 37.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.47 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -63.53 -19.38 64.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.43 -29.52 70.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.2 mp -70.96 123.38 21.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.8 p -91.19 -174.34 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.479 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -60.36 -39.73 88.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.18 98.47 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 30' ' ' VAL . 97.0 m-20 -62.86 -41.42 99.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.618 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.23 -41.56 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.531 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' O ' ' OG ' ' A' ' 32' ' ' SER . 77.3 mt -58.6 -48.29 81.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.613 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m -62.11 -40.12 94.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.674 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.578 HG22 ' HE ' ' B' ' 324' ' ' ARG . 53.3 t -62.82 -50.88 77.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -87.54 -14.17 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 110.855 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.539 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 2.1 m -46.25 -60.22 2.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.072 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' OE1' ' NE1' ' B' ' 319' ' ' TRP . 11.7 pt-20 -65.87 -12.24 52.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.75 -177.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.699 ' CE1' ' ND2' ' A' ' 71' ' ' ASN . 55.3 m-85 -112.5 34.57 4.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.76 71.42 0.98 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 36' ' ' VAL . 6.9 p -55.47 120.79 33.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.619 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -76.33 157.93 37.1 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 123.021 2.481 . . . . 0.0 112.216 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.7 m -92.24 -14.79 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.463 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -158.94 146.54 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.427 HG12 ' CD2' ' A' ' 42' ' ' LEU . 21.2 t -134.29 128.9 52.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -93.48 111.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 40' ' ' VAL . 4.0 mm? -102.74 100.58 10.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.431 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 m -85.12 145.61 27.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -133.54 154.29 50.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 49' ' ' GLY . 67.8 t0 -73.63 120.51 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.623 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.27 -20.75 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.89 -43.44 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.552 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.31 -39.19 1.04 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.571 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 83.33 1.02 90.38 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -106.12 20.63 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.6 p -145.67 156.41 43.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.599 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 7.2 pt20 -162.09 -104.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.522 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.17 8.69 62.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 9.7 p90 -148.24 134.71 19.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.73 162.56 38.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.554 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -116.5 146.01 42.89 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 15' ' ' ILE . 1.7 tp -107.96 140.59 40.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.614 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -127.19 102.24 6.85 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.547 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 60' ' ' GLU . 5.6 t80 -121.61 145.17 48.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.603 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.544 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 51.6 tp10 -57.93 -49.63 76.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.731 -178.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -83.94 126.3 32.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -85.84 -38.35 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -62.32 -28.28 69.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -64.62 -36.01 82.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.8 p -56.61 -22.97 37.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.549 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.69 -42.24 84.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.677 HD21 ' CD1' ' B' ' 311' ' ' PHE . 5.7 mp -63.03 -46.95 85.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.624 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.61 -38.32 66.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.539 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 75.2 t -65.08 -69.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.727 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 51.9 t0 -59.51 -16.21 23.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.847 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.699 ' ND2' ' CE1' ' A' ' 34' ' ' TYR . 84.9 m-20 -89.33 -50.51 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.019 -177.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.69 20.05 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.842 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 7.6 t-20 -81.82 106.8 14.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.488 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.25 -0.95 86.82 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.62 ' CZ ' ' O ' ' B' ' 325' ' ' SER . 48.9 t80 -66.72 128.5 36.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.366 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -81.39 128.84 34.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.6 mt -143.5 109.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.26 16.3 76.63 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.85 -4.34 63.22 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -123.18 148.25 45.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.785 0.326 . . . . 0.0 110.659 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -96.56 135.65 38.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.17 147.12 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.593 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -120.03 101.2 7.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.481 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mm -98.66 136.96 27.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.399 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -156.84 157.29 34.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.54 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -81.87 151.63 27.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.576 ' HG1' ' C ' ' A' ' 12' ' ' TYR . 56.8 p -128.9 -51.27 1.23 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.687 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 55.74 25.05 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.482 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 89' ' ' TYR . 3.1 p90 -85.29 132.59 34.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.634 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -73.72 126.39 89.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.667 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.33 136.97 19.2 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 123.08 2.52 . . . . 0.0 111.977 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 54.79 -104.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.15 147.71 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 95' ' ' LEU . 90.1 p -142.2 126.46 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.634 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 95' ' ' LEU . 10.2 mp -98.67 78.32 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.441 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -58.56 -34.53 71.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.7 -39.22 80.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.674 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -95.55 158.05 15.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.647 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.688 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -155.5 -88.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -96.61 3.45 52.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.22 44.82 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.597 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.3 m -147.73 -27.17 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.55 44.45 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 55.31 26.3 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.604 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 105' ' ' GLU . 35.2 mp0 40.21 -147.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tp -88.13 41.18 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.562 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -84.97 66.81 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -114.3 9.01 16.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -89.21 32.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 37.3 pt -55.15 -20.19 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 28.7 m -69.75 -27.52 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.563 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 95.9 p -67.95 -27.17 66.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.668 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -94.82 -41.43 9.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.521 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -63.54 116.71 5.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.3 m120 53.61 39.39 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.559 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 112' ' ' SER . . . -61.5 -40.55 94.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.09 146.86 45.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.525 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.509 -179.822 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 59.0 p-10 -80.59 167.56 19.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -67.37 146.23 98.7 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.726 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.57 -179.83 4.87 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.986 2.458 . . . . 0.0 111.986 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' B' ' 307' ' ' PRO . . . -67.14 159.46 76.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 307' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' B' ' 306' ' ' ALA . 39.0 Cg_endo -66.9 154.89 73.06 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.946 2.431 . . . . 0.0 112.024 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -49.79 -59.62 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -73.55 129.32 37.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.452 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 310' ' ' ARG . . . . . 0.471 ' C ' ' CD1' ' B' ' 311' ' ' PHE . 27.8 mmt180 -58.33 -47.27 84.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.52 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.677 ' CD1' HD21 ' A' ' 67' ' ' LEU . 75.3 m-85 -154.02 165.37 36.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.64 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -93.28 4.36 54.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 85.6 mt -74.58 117.93 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.595 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 314' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.0 OUTLIER -95.55 155.1 39.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.82 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -55.1 141.9 78.61 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 123.056 2.504 . . . . 0.0 111.999 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -96.16 162.56 22.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 94.8 p -62.77 -25.19 68.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 0.0 110.661 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -68.38 -14.93 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.618 ' C ' ' H ' ' B' ' 321' ' ' GLY . 18.9 t90 -63.36 -11.13 20.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.627 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 46.2 t0 58.82 -5.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.664 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 78.55 13.26 83.39 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.536 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 43.8 t -70.96 127.57 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.476 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -69.12 132.33 46.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.667 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.578 ' HE ' HG22 ' A' ' 30' ' ' VAL . 69.7 mmt-85 -135.95 115.77 13.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.441 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 325' ' ' SER . . . . . 0.62 ' O ' ' CZ ' ' A' ' 75' ' ' PHE . 27.7 t -91.93 149.78 21.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.656 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' B' ' 327' ' ' GLY . 2.0 p30 -137.14 -107.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.533 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 327' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' B' ' 326' ' ' ASN . . . -73.38 140.85 28.98 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -66.77 -32.82 74.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.568 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -57.56 -25.45 59.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -53.58 -28.3 31.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.59 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -32.73 55.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.586 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -61.17 -46.98 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.648 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.39 -38.55 91.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.471 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.05 91.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -63.58 -45.2 91.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -63.61 -40.01 95.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -60.26 -41.95 94.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.66 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.05 -41.93 98.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 73.9 mt -88.23 -94.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -172.95 171.94 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -76.62 83.64 3.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 62.9 tttp . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.499 -179.844 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.28 69.03 0.76 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.872 0.368 . . . . 0.0 110.737 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.5 ptm -150.78 159.09 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.578 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.23 -161.36 31.4 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 48.2 p-10 -64.28 157.47 25.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.471 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' H ' ' H ' ' A' ' 7' ' ' TYR . 23.7 tt0 -172.59 -7.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.618 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' H ' ' H ' ' A' ' 6' ' ' GLU . 98.7 m-85 -83.49 143.98 29.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -93.95 141.68 28.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -111.55 -46.71 3.24 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.825 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -91.88 137.78 32.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.948 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.14 136.91 34.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -131.8 160.35 35.84 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.559 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 pt -135.42 143.98 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.249 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.489 ' N ' ' OG1' ' A' ' 87' ' ' THR . 66.6 t80 -93.91 120.91 34.8 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -112.6 118.88 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.96 -178.46 15.42 Favored Glycine 0 N--CA 1.468 0.795 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 53.67 41.51 32.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.73 0.3 . . . . 0.0 110.422 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -98.46 156.97 16.51 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.313 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' HB3' HD13 ' A' ' 22' ' ' LEU . 39.2 t-20 -73.89 146.97 43.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -65.58 -40.62 92.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.558 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.89 -30.16 71.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.675 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -55.88 113.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.45 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.9 p -95.93 -179.52 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.435 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -60.7 -44.15 96.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.273 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.28 -42.23 99.72 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.459 ' O ' HG23 ' A' ' 30' ' ' VAL . 99.2 m-20 -61.0 -42.64 98.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 0.0 110.697 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.72 -43.48 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.503 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 32' ' ' SER . 14.1 mt -58.19 -46.12 86.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.413 HG23 ' O ' ' B' ' 319' ' ' TRP . 87.4 m -61.61 -40.23 94.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.057 0.456 . . . . 0.0 111.294 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 26' ' ' ASP . 76.4 t -59.89 -50.02 81.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -90.1 -13.32 36.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.107 0.479 . . . . 0.0 111.386 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.2 t -44.55 -56.73 4.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.808 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 16.3 tm-20 -63.27 -26.44 68.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.0 111.198 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -94.52 33.93 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.274 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.97 71.97 1.11 Allowed Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.172 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 36' ' ' VAL . 9.3 p -55.34 129.82 68.94 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.964 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.46 162.48 41.31 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 123.407 2.738 . . . . 0.0 111.638 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -90.33 -14.42 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.516 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -167.33 149.5 5.94 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.428 HG13 HD12 ' A' ' 57' ' ' LEU . 94.5 t -131.5 128.73 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.167 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.6 mt -103.5 113.84 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.977 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 mt -113.05 101.33 9.36 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.035 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.6 m -86.27 148.58 25.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.722 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.1 ptt85 -154.22 146.49 23.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.47 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' GLY . 71.4 m-20 -88.39 129.01 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -72.77 -19.7 61.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.701 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.09 -39.62 95.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -121.58 -23.64 5.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.879 0.371 . . . . 0.0 110.68 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 93.33 -11.06 72.4 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' H ' HG23 ' A' ' 48' ' ' THR . 12.8 tp10 -166.92 137.53 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 110.669 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.548 ' C ' ' H ' ' A' ' 53' ' ' GLY . 42.9 t -149.49 112.07 4.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.635 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 68.93 -35.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.74 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' A' ' 51' ' ' SER . . . 76.77 40.2 26.94 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -82.62 154.03 25.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.827 0.346 . . . . 0.0 110.446 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.03 156.79 36.56 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -122.05 124.72 44.63 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.883 0.373 . . . . 0.0 110.19 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.428 HD12 HG13 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -100.99 133.68 45.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.621 -179.609 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -96.19 103.53 15.43 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.839 0.352 . . . . 0.0 110.347 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.93 131.73 37.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.434 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.16 -41.45 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.455 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -109.24 130.51 55.49 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -75.11 -27.06 59.71 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.729 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -78.52 -33.13 48.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.727 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.1 t -61.99 -38.17 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.634 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.612 ' O ' HG23 ' A' ' 69' ' ' VAL . 60.7 p -47.5 -29.5 2.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.59 -41.81 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.715 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.728 HD21 ' CD1' ' B' ' 311' ' ' PHE . 83.1 mt -58.59 -50.39 73.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.142 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.56 93.1 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 65' ' ' THR . 54.0 t -49.9 -70.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.304 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.96 -38.25 81.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 111.947 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.609 ' O ' ' ND2' ' B' ' 326' ' ' ASN . 98.6 m-20 -65.21 -43.79 90.42 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 72' ' ' LEU . 4.1 mm? -95.65 -22.22 17.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.852 0.358 . . . . 0.0 111.564 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 19.8 t-20 -62.65 117.69 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 0.0 110.654 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.77 -9.71 76.25 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.525 ' CE1' ' CB ' ' B' ' 325' ' ' SER . 66.1 t80 -77.37 125.63 29.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.594 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -79.21 123.8 27.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.838 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 77' ' ' ILE . 13.3 tt -138.03 130.16 39.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.439 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.89 11.95 70.38 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.12 -20.01 52.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -118.5 140.62 49.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.938 0.399 . . . . 0.0 110.456 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.21 131.03 35.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.63 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -92.07 156.19 17.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.384 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -123.86 122.02 36.89 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.96 126.19 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.903 0.382 . . . . 0.0 110.522 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -132.17 158.2 42.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -67.91 137.73 55.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.568 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.489 ' OG1' ' N ' ' A' ' 14' ' ' TYR . 21.7 m -133.4 129.97 38.09 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.038 0.447 . . . . 0.0 110.231 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -100.15 31.92 3.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.446 ' H ' HG22 ' A' ' 87' ' ' THR . 66.7 t80 -58.09 127.64 33.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.469 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -98.76 119.3 61.48 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.48 139.45 28.58 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 123.265 2.644 . . . . 0.0 112.117 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.4 -39.44 93.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.686 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -64.95 141.1 58.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.614 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.7 t -121.97 -41.24 2.46 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.435 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.1 tp -90.35 117.74 29.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.448 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -137.61 42.01 2.34 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.517 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 99' ' ' TYR . 13.7 mptt 54.65 38.91 30.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.202 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 98' ' ' TYR . 23.2 p90 -76.72 26.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.45 ' H ' ' C ' ' A' ' 97' ' ' LYS . 89.9 t80 -55.37 -36.57 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.563 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.72 -37.76 79.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.53 98.01 11.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.624 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.0 m -142.66 -37.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.565 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -170.46 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.96 -38.63 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.79 -46.08 86.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.89 -45.04 94.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.466 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -79.61 128.84 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 50.1 ptt85 -104.88 -171.89 2.0 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.652 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 109' ' ' ASP . 53.2 p-10 -70.5 141.9 51.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.576 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.777 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -145.13 -178.01 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.63 -179.711 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 28.3 m -130.65 153.97 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.631 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.2 t -96.01 34.53 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.553 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -61.78 -42.13 98.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.484 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 58.4 t30 57.12 170.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.6 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 117' ' ' GLU . 66.5 t30 -74.68 122.63 23.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.622 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.1 91.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.474 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 99.4 mt-10 -86.2 139.24 31.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.478 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.532 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.0 144.03 57.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -84.88 146.26 45.62 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.42 -55.95 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.914 2.41 . . . . 0.0 112.167 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . 178.5 84.59 0.16 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.499 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -55.1 136.18 72.03 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.9 2.4 . . . . 0.0 112.141 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 308' ' ' GLU . . . . . 0.431 ' O ' ' NH1' ' B' ' 310' ' ' ARG . 43.7 mt-10 -62.09 -43.29 99.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.639 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 309' ' ' ASN . . . . . 0.492 ' ND2' ' OE2' ' B' ' 329' ' ' GLU . 34.7 m120 -96.72 136.31 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 310' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' B' ' 308' ' ' GLU . 1.9 mpp_? -83.17 -6.45 59.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.511 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.728 ' CD1' HD21 ' A' ' 67' ' ' LEU . 12.9 m-85 -109.33 -171.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.521 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -153.9 45.68 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.513 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 13.0 mm -76.47 122.03 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.259 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.1 mtm -75.85 153.67 85.01 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.329 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.07 141.07 69.69 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.989 2.459 . . . . 0.0 112.181 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -84.34 149.1 24.61 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 74.0 m -64.45 -38.84 92.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.937 0.398 . . . . 0.0 110.624 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.53 2.01 8.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.557 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.8 t90 -60.69 -14.83 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.138 0.494 . . . . 0.0 111.123 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 53.97 2.13 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 72.01 16.55 76.67 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.523 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 72.6 t -74.24 141.25 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 110.658 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -68.13 145.41 54.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.54 ' NH1' ' O ' ' B' ' 327' ' ' GLY . 0.1 OUTLIER -139.08 151.71 46.94 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.565 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 325' ' ' SER . . . . . 0.525 ' CB ' ' CE1' ' A' ' 75' ' ' PHE . 97.4 p -83.75 161.81 20.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.714 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.609 ' ND2' ' O ' ' A' ' 71' ' ' ASN . 73.0 m-80 54.86 39.09 31.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.711 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 327' ' ' GLY . . . . . 0.54 ' O ' ' NH1' ' B' ' 324' ' ' ARG . . . -154.97 5.12 0.25 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.86 -43.29 99.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.615 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.492 ' OE2' ' ND2' ' B' ' 309' ' ' ASN . 11.8 pt-20 -58.9 -20.97 56.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.8 -28.49 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.589 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -52.34 -36.51 53.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -62.78 -44.67 95.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -64.76 -35.68 81.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -58.75 -47.07 85.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -67.23 -37.37 83.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.287 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 336' ' ' GLN . . . . . 0.472 ' OE1' HD11 ' B' ' 339' ' ' ILE . 12.6 tp-100 -60.69 -42.71 97.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.559 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -68.27 -36.06 78.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.936 0.398 . . . . 0.0 110.748 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.27 -44.12 92.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 339' ' ' ILE . . . . . 0.472 HD11 ' OE1' ' B' ' 336' ' ' GLN . 39.6 pt -76.79 -167.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.623 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 55.39 37.81 29.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -64.23 -40.54 96.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.444 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 60.9 pttt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.759 -179.871 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.26 29.64 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.7 mtp 52.1 -98.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.418 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.88 141.4 41.74 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -66.05 148.41 51.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.801 0.334 . . . . 0.0 110.705 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -131.71 146.35 52.12 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.916 0.389 . . . . 0.0 110.413 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -98.24 147.25 24.81 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.555 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -140.53 152.86 45.89 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 17.5 p-10 -74.97 -25.27 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.161 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 55.48 41.4 30.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.398 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.19 126.91 35.39 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.969 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -134.28 140.84 46.7 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.682 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.87 119.32 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 85' ' ' ASP . 85.2 t80 -82.75 122.48 28.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.202 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.006 HD11 HD12 ' A' ' 57' ' ' LEU . 80.1 mt -109.77 126.48 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.491 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.22 172.17 22.52 Favored Glycine 0 N--CA 1.468 0.787 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 55.27 37.86 29.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.8 0.333 . . . . 0.0 110.54 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -94.72 145.12 25.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -81.12 138.72 35.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -59.23 -21.3 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.654 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -66.33 -21.78 66.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -85.08 124.59 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.368 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -106.89 -171.81 1.96 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.97 -42.15 99.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.489 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.0 -41.15 98.7 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -62.25 -42.36 99.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.95 -41.59 90.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.388 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.34 -43.98 88.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.447 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.6 m -62.07 -42.75 99.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.457 HG22 ' CZ ' ' B' ' 324' ' ' ARG . 76.3 t -60.86 -50.76 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.022 0.439 . . . . 0.0 111.64 -178.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE2' HD13 ' A' ' 57' ' ' LEU . 30.0 m-85 -77.1 -18.63 57.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.213 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' B' ' 319' ' ' TRP . 8.8 t -64.77 -17.26 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.133 0.492 . . . . 0.0 111.975 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.85 -35.7 79.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.061 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -123.74 41.3 3.52 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.2 81.96 1.39 Allowed Glycine 0 N--CA 1.477 1.414 0 C-N-CA 119.626 -1.273 . . . . 0.0 113.075 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.473 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 15.0 p -55.63 133.37 71.7 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-O 121.006 0.431 . . . . 0.0 110.517 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.8 149.13 85.17 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 123.068 2.512 . . . . 0.0 112.302 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.7 p -92.8 -25.61 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.896 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 66.2 t0 -153.6 130.78 11.14 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 21.0 t -124.22 129.33 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' C ' HD22 ' A' ' 42' ' ' LEU . 77.1 mt -105.38 121.17 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 120.925 0.393 . . . . 0.0 110.944 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 4.1 mm? -100.34 108.76 20.88 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.9 t -74.56 113.63 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -132.53 143.51 49.78 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.872 0.367 . . . . 0.0 110.455 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 49' ' ' GLY . 98.0 m-20 -79.83 130.28 35.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -68.48 -20.77 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -62.96 -39.8 95.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.602 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.51 -41.32 1.08 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.813 0.34 . . . . 0.0 110.713 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 73.48 31.14 61.28 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -132.99 140.63 47.86 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.798 0.333 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 t 66.46 109.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.426 ' HG3' ' H ' ' A' ' 53' ' ' GLY . 1.1 pt20 -90.0 -65.78 0.99 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.974 0.416 . . . . 0.0 110.58 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.426 ' H ' ' HG3' ' A' ' 52' ' ' GLN . . . 92.33 -15.09 63.03 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -167.32 160.79 13.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.744 0.307 . . . . 0.0 110.695 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.64 165.55 35.19 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.798 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -115.73 142.6 46.53 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.006 HD12 HD11 ' A' ' 15' ' ' ILE . 1.5 mt -118.66 131.41 56.16 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.501 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -131.06 113.3 13.76 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.19 0.306 . . . . 0.0 110.532 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 16.5 t80 -115.94 146.74 41.83 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.313 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -53.46 -19.03 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -120.55 121.93 39.47 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.857 0.36 . . . . 0.0 110.727 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -77.79 -21.08 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.783 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -62.69 -29.25 70.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -59.56 -31.01 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.574 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.4 p -60.45 -36.19 77.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.525 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.08 -48.43 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.675 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.525 ' CD1' HD12 ' B' ' 313' ' ' ILE . 34.1 mt -64.09 -38.01 89.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.004 0.431 . . . . 0.0 110.574 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.44 65.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.324 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.53 -19.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.043 0.449 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 52.8 t0 -71.54 -32.59 68.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -116.02 -40.0 3.37 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.94 -26.1 56.56 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -67.74 121.12 15.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.934 0.397 . . . . 0.0 110.461 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.35 11.6 84.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -104.46 133.0 50.07 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.775 0.322 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -79.82 112.73 17.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.62 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 77' ' ' ILE . 1.2 tp -96.47 118.64 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.538 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 77' ' ' ILE . . . 24.01 57.03 0.05 OUTLIER Glycine 0 N--CA 1.474 1.228 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.34 -113.94 1.23 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -91.54 171.12 9.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.817 0.342 . . . . 0.0 110.974 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.11 138.6 34.74 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.027 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -89.51 154.14 20.25 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.113 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -99.51 117.74 34.56 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.9 mm -111.69 126.14 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.1 t0 -157.94 149.79 21.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.685 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -83.51 151.0 25.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.264 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 t -146.08 157.04 43.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -104.19 11.82 34.55 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.242 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.432 ' CZ ' ' O ' ' A' ' 90' ' ' ARG . 32.7 t80 -48.27 132.51 16.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.432 ' O ' ' CZ ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -79.9 141.25 54.85 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.439 ' O ' ' O ' ' A' ' 92' ' ' LYS . 68.2 Cg_endo -76.43 164.77 30.25 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 123.06 2.507 . . . . 0.0 112.052 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 91' ' ' PRO . 88.9 tttt 58.07 122.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 61.41 151.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 96' ' ' GLN . 55.2 m -109.23 -166.83 1.14 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.853 0.359 . . . . 0.0 110.399 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.513 ' H ' HD23 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -70.28 38.47 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' A' ' 94' ' ' SER . 97.3 mt-30 -62.63 -39.8 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -142.97 82.66 1.77 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.373 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -83.17 54.02 2.65 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.577 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -49.86 -30.52 10.12 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.978 0.418 . . . . 0.0 110.844 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.22 -38.57 80.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.605 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.38 -23.42 30.11 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.976 0.417 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.554 ' O ' ' O ' ' A' ' 103' ' ' LYS . 69.1 t -62.88 -39.01 83.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.648 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.554 ' O ' ' O ' ' A' ' 102' ' ' VAL . 18.6 ptmt -48.56 -165.58 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.065 0.459 . . . . 0.0 111.292 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -41.96 -20.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.866 0.365 . . . . 0.0 111.086 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 103' ' ' LYS . 59.2 mm-40 -56.39 -43.78 79.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.697 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 105' ' ' GLU . 3.5 mm? -115.73 -29.38 6.44 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 102' ' ' VAL . 95.8 m-20 -62.05 -21.29 64.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.615 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.34 -20.33 42.53 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.532 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 110' ' ' ILE . 37.1 p-10 -59.74 -39.47 84.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.963 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.481 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 29.1 pt -91.86 21.99 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.785 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 112' ' ' SER . 59.4 t -127.37 -35.33 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.713 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.455 ' O ' ' O ' ' A' ' 111' ' ' VAL . 57.9 p -46.47 -100.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 113' ' ' LYS . 3.7 mptp? 55.2 81.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.17 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.7 m120 59.09 -122.22 1.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.404 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -59.13 -110.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -130.74 102.14 5.97 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.368 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 51.16 96.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.579 179.851 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.1 138.94 58.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.489 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 304' ' ' LYS . . . . . 0.527 ' HD3' ' H ' ' B' ' 304' ' ' LYS . 0.7 OUTLIER -67.71 149.57 98.22 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -179.694 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.42 -39.82 63.4 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 C-N-CA 122.835 2.357 . . . . 0.0 112.264 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.644 ' HB3' ' CD ' ' B' ' 307' ' ' PRO . . . -175.31 -61.12 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.573 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 307' ' ' PRO . . . . . 0.644 ' CD ' ' HB3' ' B' ' 306' ' ' ALA . 16.1 Cg_endo -56.54 165.15 4.8 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 123.052 2.502 . . . . 0.0 111.912 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 65.24 103.91 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 309' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' B' ' 309' ' ' ASN . 10.7 p-10 -72.07 146.29 47.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.692 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -86.87 -46.55 9.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.71 106.38 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.731 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -79.48 89.67 5.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 313' ' ' ILE . . . . . 0.525 HD12 ' CD1' ' A' ' 67' ' ' LEU . 65.1 mt -90.61 133.08 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 15.2 mmt -61.67 144.01 93.31 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.44 157.4 56.55 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.939 2.426 . . . . 0.0 112.188 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -93.99 153.47 21.17 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 71.0 m -62.07 -38.17 87.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 0.0 110.782 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -58.55 -13.64 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.546 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 19.7 t90 -61.66 -16.4 48.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.228 0.537 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 55.29 1.67 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 70.48 21.41 77.55 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 44.0 t -68.47 147.22 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.318 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -68.53 111.29 4.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.457 ' CZ ' HG22 ' A' ' 30' ' ' VAL . 39.8 mmt180 -134.05 149.84 51.17 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.878 0.37 . . . . 0.0 110.226 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 17.2 t -84.92 105.55 15.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.692 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' B' ' 326' ' ' ASN . 0.6 OUTLIER 170.19 -44.4 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -102.07 7.56 54.89 Favored Glycine 0 N--CA 1.465 0.583 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -62.97 -38.74 92.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.054 0.454 . . . . 0.0 110.753 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' B' ' 329' ' ' GLU . 48.2 mp0 -60.15 -19.5 54.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.061 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 330' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' B' ' 331' ' ' LYS . 21.1 pt-20 -43.76 -41.75 5.09 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.95 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' B' ' 330' ' ' GLU . 11.0 ptpt -71.3 -33.84 70.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.394 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -62.16 -47.41 84.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -64.19 -38.75 92.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.252 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.46 96.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -62.03 -41.77 98.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.196 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -64.43 -39.14 93.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 110.159 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -62.78 -39.03 92.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.073 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.42 -28.82 67.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.25 -41.69 92.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.721 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -98.65 18.06 17.73 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.84 0.352 . . . . 0.0 111.248 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -137.78 109.57 7.12 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.984 0.421 . . . . 0.0 110.289 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 19.6 tptm . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.593 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.11 83.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.59 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.1 ttp -57.54 131.74 51.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.06 -99.86 1.58 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.88 45.2 24.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 56.7 mp0 -60.36 -108.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 57.84 38.39 27.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.607 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.508 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 56.9 mtmt -89.25 -48.71 7.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.1 t0 46.43 38.38 5.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 8' ' ' LYS . 78.3 m-20 -156.0 58.61 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.823 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.84 126.91 38.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.635 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -130.15 161.41 31.18 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.506 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -136.56 131.01 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.136 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -91.33 130.66 37.16 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.495 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.86 HD11 HD12 ' A' ' 57' ' ' LEU . 60.4 mt -109.61 123.84 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.87 172.83 17.09 Favored Glycine 0 N--CA 1.467 0.726 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 54.38 38.55 29.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.876 0.37 . . . . 0.0 110.764 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.35 141.81 35.66 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.538 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -78.45 140.97 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.26 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.28 -24.71 66.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.18 -29.1 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.4 132.13 47.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -107.34 170.91 7.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.12 -41.24 96.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.33 -43.22 98.71 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.65 -44.73 95.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.788 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.49 -43.92 97.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.489 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 32' ' ' SER . 15.4 mt -57.14 -43.74 82.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.297 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.415 HG23 ' O ' ' B' ' 319' ' ' TRP . 94.4 m -63.06 -40.4 97.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.87 0.367 . . . . 0.0 110.499 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.3 -48.8 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.022 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -85.87 -14.59 44.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.213 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' LEU . 4.1 t -44.92 -53.86 7.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.72 -178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -66.88 -38.24 85.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 111.676 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.413 ' OH ' ' OD1' ' B' ' 326' ' ' ASN . 62.6 m-85 -81.51 33.52 0.36 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.566 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' CZ ' ' A' ' 59' ' ' TYR . . . 96.09 74.05 1.2 Allowed Glycine 0 N--CA 1.465 0.59 0 C-N-CA 119.962 -1.113 . . . . 0.0 111.185 -179.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.1 p -53.24 126.11 44.29 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 121.082 0.467 . . . . 0.0 111.021 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.9 162.4 37.39 Favored 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 123.323 2.682 . . . . 0.0 112.332 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -90.91 -16.17 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -165.52 156.8 14.18 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.93 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 t -134.06 137.04 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.1 mt -115.91 118.98 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -113.79 127.76 56.14 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.4 m -70.06 132.24 45.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.705 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -157.12 148.2 21.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.527 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' A' ' 49' ' ' GLY . 70.0 m-20 -86.67 129.27 34.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.384 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.35 -17.1 64.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.571 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.63 -43.01 98.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.5 p -127.53 -27.75 2.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.885 0.374 . . . . 0.0 111.065 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 94.2 7.25 60.98 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.08 146.4 43.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.653 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.0 m -69.51 145.35 52.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -92.88 0.31 57.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.667 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.43 8.97 76.69 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -121.57 149.68 42.78 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.144 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.5 140.62 15.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -121.19 125.08 46.26 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.136 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.86 HD12 HD11 ' A' ' 15' ' ' ILE . 3.8 mt -92.07 143.44 26.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.056 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -108.44 101.71 10.87 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 1.2 m-85 -100.05 132.83 45.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -70.2 -40.83 74.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.986 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -108.45 130.88 55.24 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.408 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' OG1' ' A' ' 65' ' ' THR . 18.5 pt20 -77.29 -19.06 56.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -70.78 -41.14 72.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 110.937 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -63.16 -36.14 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.823 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 69' ' ' VAL . 70.8 p -51.81 -34.88 42.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.476 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.49 -43.21 98.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 120.817 0.341 . . . . 0.0 110.454 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 27.5 mt -59.9 -50.93 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.052 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.31 79.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 65' ' ' THR . 51.1 t -56.76 -67.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.292 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.37 -36.17 82.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.877 0.37 . . . . 0.0 111.763 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 99.1 m-20 -62.78 -49.82 73.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.8 mm? -85.5 -28.38 25.01 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.832 0.349 . . . . 0.0 111.68 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 34.2 t30 -62.66 118.76 8.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.563 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.48 -18.86 34.86 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -86.94 133.3 33.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.827 0.346 . . . . 0.0 110.323 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -88.6 126.67 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.247 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.45 HD12 HD21 ' A' ' 82' ' ' LEU . 72.7 mt -135.66 129.53 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.413 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.09 19.09 79.83 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.41 -4.69 85.23 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -134.95 158.09 45.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.69 116.98 29.5 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.468 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -67.04 154.85 40.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.269 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -117.06 121.37 41.13 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.775 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mm -102.29 121.98 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 66.0 t0 -136.64 140.02 42.48 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.712 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.495 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 38.8 m170 -63.92 140.08 58.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.446 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.638 HG22 ' H ' ' A' ' 89' ' ' TYR . 95.0 m -125.94 130.97 52.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.573 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -105.13 7.25 33.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.638 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.638 ' H ' HG22 ' A' ' 87' ' ' THR . 87.7 t80 -59.55 129.9 44.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.466 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.446 ' O ' ' CE2' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -86.27 147.99 46.14 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 -179.69 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.49 167.91 25.06 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.958 2.439 . . . . 0.0 112.09 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -128.52 150.01 50.35 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.538 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 73.2 mmt-85 -92.92 -107.88 0.11 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.326 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.5 t -151.91 138.61 18.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.544 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.04 -13.53 60.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.692 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -63.73 130.22 43.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt 43.55 32.01 0.49 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.708 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -122.39 102.65 8.23 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.372 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -176.86 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.462 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -74.36 -33.93 63.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.92 79.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 103' ' ' LYS . 8.8 p -70.93 -40.8 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.613 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 102' ' ' VAL . 87.4 tttt -62.78 -45.84 90.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -69.57 -33.57 72.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.404 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.51 -45.15 85.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 107' ' ' ASP . 1.6 pp -95.9 -45.0 7.13 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.753 0.311 . . . . 0.0 110.546 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 108' ' ' ARG . 29.8 t0 38.61 -159.19 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.765 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.5 ' H ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -147.19 -0.18 0.69 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.906 0.384 . . . . 0.0 110.544 179.778 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' OD1' ' OD2' ' A' ' 107' ' ' ASP . 37.2 p-10 -91.22 3.26 55.29 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 92.2 mt -102.21 97.93 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 120.76 0.314 . . . . 0.0 110.473 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' A' ' 113' ' ' LYS . 11.2 m -146.46 6.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.685 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.4 m 65.92 -4.07 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 111' ' ' VAL . 2.2 tppp? -63.5 -46.3 86.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.134 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 56.36 27.62 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.557 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 49.69 42.44 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.691 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.15 145.16 25.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.609 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -139.45 150.53 45.32 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.695 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.377 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -76.47 121.87 23.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.477 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -66.01 127.35 93.11 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.007 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.76 161.93 40.64 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 123.028 2.486 . . . . 0.0 112.11 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.53 130.14 91.77 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.063 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.98 139.09 20.72 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.96 2.44 . . . . 0.0 112.107 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 59.96 -132.45 0.89 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.341 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -82.25 130.24 35.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.765 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -89.71 -40.47 12.5 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.15 0.5 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -82.99 111.93 19.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.014 -179.379 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -94.41 78.12 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.502 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.42 134.89 27.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.176 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 21.2 mmt -78.76 121.31 83.35 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.385 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.46 139.58 45.92 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 123.106 2.537 . . . . 0.0 112.319 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -97.59 166.94 23.05 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 60.0 p -68.31 -23.49 64.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.708 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -63.42 -21.18 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.996 0.427 . . . . 0.0 110.713 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.557 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.3 t90 -61.23 -18.11 56.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.049 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 56.27 0.06 0.06 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 73.68 16.05 79.23 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.44 149.25 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 110.387 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 323' ' ' HIS . . . . . 0.491 ' N ' ' ND1' ' B' ' 323' ' ' HIS . 0.0 OUTLIER -67.03 138.45 57.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.714 -179.554 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.15 147.71 38.88 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.485 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 58.0 m -121.92 139.42 53.67 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.337 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.413 ' OD1' ' OH ' ' A' ' 34' ' ' TYR . 1.9 p-10 -150.79 -7.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . 162.21 126.73 0.84 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' B' ' 330' ' ' GLU . 71.4 t80 -61.8 -48.76 79.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.791 0.329 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 15.3 pm0 -43.46 -22.03 0.04 OUTLIER 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 111.048 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 330' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' B' ' 328' ' ' PHE . 14.7 tm-20 -56.14 -19.98 15.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.077 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.0 OUTLIER -57.91 -47.72 82.01 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.511 -179.104 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 332' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' B' ' 329' ' ' GLU . 68.8 p-90 -85.29 -23.3 28.21 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 111.194 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -65.62 -37.1 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.574 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.18 -47.96 83.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.502 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -67.16 -43.51 82.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.162 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -61.2 -48.6 80.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.685 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -65.94 -38.06 87.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.712 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.74 -43.22 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.04 -48.76 87.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.199 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 64.7 t30 45.54 47.0 11.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.634 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 56.46 100.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.574 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.01 148.14 25.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.908 0.385 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.8 mtt 53.14 46.53 26.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.644 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.32 170.17 43.31 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -135.04 164.84 26.73 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 110.565 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.5 mp0 -62.37 -43.79 98.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -172.43 148.09 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.612 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.55 145.9 46.86 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.788 0.328 . . . . 0.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -145.95 35.61 1.02 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.741 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.423 ' O ' ' CE1' ' A' ' 12' ' ' TYR . 31.5 m120 -101.49 16.55 25.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.366 . . . . 0.0 110.67 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.709 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . . . -72.73 143.53 47.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.517 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.423 ' CE1' ' O ' ' A' ' 10' ' ' ASN . 95.0 m-85 -129.13 146.64 51.02 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.688 0.28 . . . . 0.0 110.986 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -97.92 121.73 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -81.62 121.03 25.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.802 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -111.31 118.63 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -116.14 179.07 17.75 Favored Glycine 0 N--CA 1.47 0.959 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 11.0 t30 56.16 43.76 26.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.773 0.32 . . . . 0.0 110.237 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 27' ' ' ILE . 4.6 tt -96.37 122.15 38.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.397 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.51 143.13 38.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.692 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -58.93 -18.29 32.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.445 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.06 -29.61 69.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -84.59 133.58 34.42 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.498 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 26' ' ' ASP . 6.6 t -107.78 -179.22 3.84 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.94 -40.51 97.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.82 -41.19 99.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.492 ' H ' HG23 ' A' ' 23' ' ' THR . 27.6 t70 -63.38 -43.23 98.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.47 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 18' ' ' LEU . 86.5 mt -61.08 -43.63 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.211 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.1 mt -57.63 -46.51 84.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.324 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.463 HG23 ' O ' ' B' ' 319' ' ' TRP . 99.0 m -59.15 -42.01 89.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.109 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.06 -49.71 83.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.413 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' A' ' 57' ' ' LEU . 54.5 m-85 -82.41 -14.52 55.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.88 0.372 . . . . 0.0 111.507 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LEU . 47.3 t -50.15 -55.88 13.26 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.82 -17.63 64.04 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.086 0.47 . . . . 0.0 111.761 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -106.99 33.03 4.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.57 71.82 1.03 Allowed Glycine 0 C--N 1.338 0.661 0 C-N-CA 119.817 -1.182 . . . . 0.0 111.249 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.0 p -52.85 125.41 39.05 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.795 -177.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 59.1 Cg_endo -73.7 159.27 45.94 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 123.257 2.638 . . . . 0.0 111.983 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.8 m -95.15 -16.22 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.448 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -160.66 133.45 6.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.707 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.9 t -125.98 124.06 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 120.735 0.303 . . . . 0.0 110.381 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.6 mt -98.65 120.67 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.286 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.552 HD12 ' CB ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -109.09 109.66 20.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.145 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -71.33 132.95 45.62 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.489 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -137.61 145.81 43.22 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 49' ' ' GLY . 99.6 m-20 -74.4 129.63 38.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.361 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -64.9 -21.92 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.734 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -69.23 -44.24 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.4 p -113.42 -44.78 3.19 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.83 0.347 . . . . 0.0 111.144 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 83.98 7.04 86.06 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -67.23 -83.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.943 0.402 . . . . 0.0 110.422 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.3 t -166.76 144.18 4.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' OE1' ' OD1' ' A' ' 45' ' ' ASP . 9.2 mm100 -83.58 -14.72 51.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.767 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.26 -3.72 60.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -150.34 160.56 43.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 110.428 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.552 ' CB ' HD12 ' A' ' 42' ' ' LEU . . . -155.74 164.87 38.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.541 ' CD1' ' CE1' ' A' ' 89' ' ' TYR . 94.1 m-85 -104.95 137.23 43.03 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.759 0.314 . . . . 0.0 110.447 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 31' ' ' PHE . 6.6 tt -111.37 126.12 54.58 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.025 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 0.9 OUTLIER -98.41 109.01 21.84 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.962 0.411 . . . . 0.0 110.267 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.709 ' OH ' ' HB3' ' A' ' 11' ' ' ALA . 30.7 p90 -98.31 160.6 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.04 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -89.72 -44.42 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 68.0 m-20 -109.12 141.02 41.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.737 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -64.51 -32.26 73.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.961 0.41 . . . . 0.0 110.636 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -59.99 -24.37 64.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.668 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.2 p -63.54 -35.56 80.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.449 ' O ' HG12 ' A' ' 69' ' ' VAL . 43.4 p -64.07 -39.73 94.71 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.663 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.86 -43.81 97.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.278 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' B' ' 311' ' ' PHE . 14.2 mt -57.23 -51.87 67.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.823 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.64 -61.46 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.022 0.439 . . . . 0.0 111.796 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 65' ' ' THR . 3.1 p -49.38 -19.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.049 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -85.9 -49.28 7.99 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -98.58 -38.21 9.24 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 3.0 mm? -75.74 -14.84 60.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.037 0.446 . . . . 0.0 111.212 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -79.56 113.88 18.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.756 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.18 7.64 79.77 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -86.67 129.06 35.01 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.904 0.383 . . . . 0.0 110.687 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.43 119.11 19.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.759 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ILE . 14.6 tt -137.63 126.63 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.422 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.87 17.11 73.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.66 81.13 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -122.27 146.16 47.55 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.828 0.347 . . . . 0.0 110.604 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.531 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -77.44 138.54 39.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.416 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mt -81.69 144.07 31.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.793 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -129.55 101.64 6.02 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.11 135.92 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.418 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 56.4 t0 -154.04 141.45 19.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.635 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.43 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 42.5 m170 -75.58 141.54 42.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.701 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.4 t -146.24 150.0 34.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.626 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -118.8 24.42 10.87 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.541 ' CE1' ' CD1' ' A' ' 56' ' ' TYR . 1.5 p90 -58.36 134.13 56.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.295 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -69.01 145.98 96.97 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.061 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.49 143.46 47.39 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 122.94 2.427 . . . . 0.0 112.173 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 48.99 45.05 22.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -158.28 -62.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.445 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.7 m 52.27 45.71 27.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.627 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.414 ' CG ' ' H ' ' A' ' 96' ' ' GLN . 4.0 tp -140.77 -137.79 0.12 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.628 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.414 ' H ' ' CG ' ' A' ' 95' ' ' LEU . 19.5 tm0? 64.45 117.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.205 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.1 tttp 53.72 82.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.241 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.431 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 3.4 t80 -100.79 105.93 17.29 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.506 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 102' ' ' VAL . 2.6 m-85 -167.13 -66.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.039 0.447 . . . . 0.0 110.512 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.81 -38.7 92.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.612 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.29 -26.35 64.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.642 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 99' ' ' TYR . 94.4 t -39.77 146.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.472 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -61.08 166.54 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 57.56 41.26 26.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.357 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -87.19 -103.75 0.07 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.048 0.451 . . . . 0.0 110.431 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.55 -37.02 84.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.543 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.76 -8.91 3.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.597 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -59.0 -41.63 88.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.435 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -99.35 97.69 8.72 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.813 0.339 . . . . 0.0 110.977 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.8 mt -135.17 121.67 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.35 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 113' ' ' LYS . 34.2 m -98.65 -38.85 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.582 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 111' ' ' VAL . 10.5 t 55.18 5.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.603 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 111' ' ' VAL . 55.4 mtmt -139.54 145.94 39.3 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.631 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -103.53 177.41 4.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.453 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -97.51 93.44 6.45 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.255 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 118' ' ' LYS . . . -61.89 -42.97 99.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.74 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 69.15 -37.87 0.38 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.718 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 116' ' ' ALA . 61.9 pttt . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.579 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.66 145.34 56.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -90.7 123.04 66.17 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.961 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -75.43 160.45 38.71 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 123.182 2.588 . . . . 0.0 112.268 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.612 ' HB3' ' HD3' ' B' ' 307' ' ' PRO . . . -94.12 -46.17 0.29 Allowed Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.499 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 307' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' B' ' 306' ' ' ALA . 31.4 Cg_exo -58.95 147.75 88.18 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.897 2.398 . . . . 0.0 112.183 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 308' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 54.1 mt-10 -63.75 122.49 16.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.432 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 309' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' B' ' 308' ' ' GLU . 91.8 m-20 -149.48 136.36 19.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.757 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 310' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' B' ' 329' ' ' GLU . 72.9 mtm180 -86.88 -47.74 8.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.155 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.502 ' CD1' HD21 ' A' ' 67' ' ' LEU . 92.7 m-85 -148.69 -177.74 5.95 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.886 0.374 . . . . 0.0 110.464 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -134.04 68.56 1.48 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.83 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 24.2 mm -99.29 125.19 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 6.1 ptp -72.34 149.93 91.62 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -70.68 151.2 63.65 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.918 2.412 . . . . 0.0 112.003 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -110.26 157.05 15.25 Favored Glycine 0 N--CA 1.468 0.828 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 45.8 t -62.23 -39.26 92.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 110.472 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.73 -10.22 34.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.496 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.564 ' C ' ' H ' ' B' ' 321' ' ' GLY . 17.7 t90 -61.54 -16.63 49.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.337 0.589 . . . . 0.0 111.077 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 55.05 1.02 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.768 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 75.03 16.74 80.43 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.528 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 82.0 t -76.14 140.04 17.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.525 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.35 125.93 33.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -137.44 108.19 6.63 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 81.8 p -159.06 166.01 32.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.576 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -136.3 119.67 16.85 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.359 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -67.24 -15.08 65.03 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -60.07 -27.81 67.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.852 0.358 . . . . 0.0 110.476 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.491 ' OE1' ' NH1' ' B' ' 310' ' ' ARG . 19.2 pt-20 -62.17 -21.15 64.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.622 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -49.13 -28.97 4.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.46 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -56.85 -34.36 67.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.715 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -62.61 -48.85 77.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.775 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -63.69 -39.05 93.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.18 94.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.198 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -72.38 -34.15 67.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -61.04 -30.42 70.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -83.2 -42.28 17.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.659 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.28 -43.26 70.8 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 50.0 mm 47.48 88.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.811 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -153.53 117.15 4.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.491 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 57.55 99.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.21 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.514 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.79 49.36 20.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.494 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.4 tpp -65.42 127.02 30.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.07 -112.02 0.02 OUTLIER Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 7' ' ' TYR . 26.5 m120 53.89 38.06 27.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.644 0.259 . . . . 0.0 110.386 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 46.68 19.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.486 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.403 ' N ' ' C ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER -102.29 -64.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.668 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -102.66 97.36 7.56 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.567 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -158.22 -130.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.841 0.353 . . . . 0.0 110.459 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -82.24 61.46 5.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.387 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.643 ' HB1' ' CZ ' ' A' ' 59' ' ' TYR . . . -88.67 117.06 27.37 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.508 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 11' ' ' ALA . 38.1 m-85 -153.17 153.23 32.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 13' ' ' ILE . 1.3 mt -110.87 130.75 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -86.27 125.78 33.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.3 mt -121.85 125.24 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.355 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.38 178.45 17.36 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 57.05 40.54 28.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.814 0.34 . . . . 0.0 110.616 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -100.7 153.75 19.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.477 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.558 ' ND2' ' OE2' ' A' ' 21' ' ' GLU . 1.8 m120 -74.59 136.29 42.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.296 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -60.43 -44.37 95.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.747 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' OE2' ' ND2' ' A' ' 19' ' ' ASN . 18.7 pm0 -66.87 -11.87 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.494 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.73 126.61 28.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.467 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 26' ' ' ASP . 8.8 t -104.23 172.36 6.84 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.665 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -61.71 -36.32 80.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.462 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.03 -45.81 93.37 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.5 m-20 -64.67 -44.97 88.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.544 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.46 -43.96 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 32' ' ' SER . 16.9 mt -58.22 -42.79 87.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.4 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.575 HG23 ' O ' ' B' ' 319' ' ' TRP . 26.3 m -63.54 -41.42 98.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.353 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 26' ' ' ASP . 97.0 t -67.49 -45.13 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.956 0.407 . . . . 0.0 111.014 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -86.2 -14.88 42.64 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 111.113 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 28' ' ' LEU . 1.7 m -47.81 -57.16 5.97 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.036 0.446 . . . . 0.0 111.502 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -69.87 -30.26 67.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.253 0.549 . . . . 0.0 111.106 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -90.31 34.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.182 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.49 73.32 1.13 Allowed Glycine 0 N--CA 1.465 0.583 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.481 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -54.37 118.9 17.72 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-O 120.958 0.409 . . . . 0.0 110.67 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 60.2 Cg_endo -75.15 159.14 41.14 Favored 'Trans proline' 0 N--CA 1.505 2.161 0 C-N-CA 123.676 2.917 . . . . 0.0 111.803 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 38' ' ' VAL . 15.1 m -92.62 -22.25 5.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.518 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -150.09 142.17 24.0 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.733 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.1 t -135.16 132.82 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.766 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.3 mt -117.46 123.15 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-O 120.692 0.282 . . . . 0.0 110.696 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.75 143.11 40.02 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.773 0.32 . . . . 0.0 110.62 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 50' ' ' GLU . 29.8 t -59.05 157.59 9.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 50' ' ' GLU . 84.4 mtp180 -104.55 154.91 19.32 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.781 0.324 . . . . 0.0 110.788 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 52.7 t0 -50.37 147.6 4.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.746 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 3.2 pp20? -65.44 -21.96 66.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.65 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -64.84 -45.22 87.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 49' ' ' GLY . 10.2 t -89.04 -39.23 13.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.67 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' N ' HG23 ' A' ' 48' ' ' THR . . . -147.19 -112.5 0.71 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 44' ' ' ARG . 10.7 pt-20 -134.6 134.78 41.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.576 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.619 ' C ' ' H ' ' A' ' 53' ' ' GLY . 78.2 p -99.15 -67.1 0.86 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.464 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 62.94 -32.19 0.1 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 120.844 0.354 . . . . 0.0 110.615 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.619 ' H ' ' C ' ' A' ' 51' ' ' SER . . . 86.9 42.58 6.3 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -129.13 160.2 33.61 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.958 0.408 . . . . 0.0 110.38 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.69 153.91 32.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CE2' ' CE2' ' A' ' 89' ' ' TYR . 61.9 m-85 -106.88 145.15 32.52 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.285 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -123.63 132.14 53.79 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.994 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 84.5 tttt -105.45 107.71 18.84 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 110.319 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.643 ' CZ ' ' HB1' ' A' ' 11' ' ' ALA . 28.3 p90 -96.94 158.31 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.815 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -88.73 -38.56 14.62 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 10.0 p-10 -116.38 140.05 49.76 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.783 0.325 . . . . 0.0 110.628 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -62.63 -29.66 70.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -59.36 -26.6 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.717 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.7 m -60.11 -37.92 81.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.1 p -63.51 -40.17 96.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.04 -42.29 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.091 0.472 . . . . 0.0 110.796 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.924 HD21 ' CD1' ' B' ' 311' ' ' PHE . 47.9 mt -65.89 -38.79 89.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.071 0.463 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.98 65.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.092 0.472 . . . . 0.0 111.191 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.39 -19.32 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.156 0.503 . . . . 0.0 110.612 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.96 -46.31 62.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.804 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' B' ' 325' ' ' SER . 54.7 t30 -115.82 -42.55 3.08 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -177.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.08 10.72 1.77 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.926 0.393 . . . . 0.0 111.196 -177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -86.62 110.51 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.35 9.08 87.32 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -54.26 131.26 41.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.6 0.238 . . . . 0.0 110.467 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.46 106.02 15.73 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.4 mt -141.35 125.42 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.906 0.384 . . . . 0.0 110.278 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.53 18.52 79.96 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.36 3.56 89.93 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -125.31 153.39 43.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 110.566 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.52 124.48 40.53 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.03 142.84 58.23 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.786 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -118.67 101.6 8.23 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.096 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.0 mm -98.26 132.75 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.634 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.62 143.45 14.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.688 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -73.53 145.62 45.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.573 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -147.35 146.38 29.64 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.68 8.5 44.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.326 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.632 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 64.3 t80 -54.5 127.9 29.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.506 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.513 ' H ' ' CD ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -79.39 152.84 76.26 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.22 145.77 73.61 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 123.106 2.537 . . . . 0.0 111.86 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.59 53.57 1.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.631 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -61.16 -41.41 96.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.425 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.4 m -161.65 65.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.565 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 95' ' ' LEU . 10.5 mp 53.75 40.48 31.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.372 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -74.51 139.88 44.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.636 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 47.89 28.02 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.99 -37.02 86.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.539 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -55.38 -44.9 76.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.142 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -69.45 -32.92 72.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.504 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.1 94.85 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.4 m -73.77 -31.68 32.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.577 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -62.73 -49.41 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -70.12 -40.24 74.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.03 -42.14 99.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.19 -40.32 97.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.429 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -85.18 82.77 8.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.588 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.94 -40.31 97.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.492 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -167.62 157.68 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.8 pt -120.67 143.55 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 67.4 t -128.25 128.17 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.608 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.3 t -172.37 54.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.489 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 117' ' ' GLU . 9.2 ptmm? -163.34 -39.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -63.83 -37.6 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.657 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -91.88 18.52 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.686 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.58 -69.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 113' ' ' LYS . 98.9 mt-10 -62.32 -40.14 95.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.692 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.645 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.19 139.09 58.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.389 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -83.28 120.63 76.07 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 305' ' ' PRO . . . . . 0.4 ' HG2' ' H ' ' B' ' 306' ' ' ALA . 59.9 Cg_endo -76.01 -82.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.508 2.346 0 C-N-CA 123.541 2.827 . . . . 0.0 111.963 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' B' ' 307' ' ' PRO . . . -161.89 161.17 21.99 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 307' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' B' ' 306' ' ' ALA . 36.6 Cg_endo -65.28 166.37 19.37 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 123.112 2.541 . . . . 0.0 111.862 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 308' ' ' GLU . . . . . 0.417 ' H ' ' CD ' ' B' ' 308' ' ' GLU . 28.8 mp0 -55.05 -44.53 74.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.61 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -72.31 150.88 43.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.37 -40.91 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.74 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.924 ' CD1' HD21 ' A' ' 67' ' ' LEU . 11.5 m-85 -103.5 -169.67 1.68 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.892 0.377 . . . . 0.0 110.328 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -123.89 45.38 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 23.8 mm -89.63 116.17 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.136 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 314' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.2 OUTLIER -77.5 147.82 75.95 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.36 165.4 31.79 Favored 'Trans proline' 0 N--CA 1.503 2.031 0 C-N-CA 123.404 2.736 . . . . 0.0 111.978 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -135.43 171.14 22.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 42.7 t -69.79 -41.16 75.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.021 0.439 . . . . 0.0 110.87 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -60.21 -23.48 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.61 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.5 t90 -59.07 -20.79 56.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 110.787 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.29 -28.57 0.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.61 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 100.4 15.1 30.88 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.421 ' CG1' HG22 ' A' ' 29' ' ' THR . 4.3 p -62.84 138.6 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.614 0.245 . . . . 0.0 110.561 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -82.83 129.63 35.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.803 0.335 . . . . 0.0 110.575 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.725 ' NE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -135.99 108.45 7.38 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.343 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 325' ' ' SER . . . . . 0.461 ' HA ' HD21 ' A' ' 71' ' ' ASN . 66.8 m -154.43 124.53 6.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.648 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -171.98 61.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.396 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -140.86 168.61 25.23 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -63.27 -24.26 67.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.726 0.298 . . . . 0.0 110.732 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -61.37 -18.71 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.133 0.492 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.18 -37.56 69.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.5 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.413 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 54.7 pttt -60.97 -38.12 84.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.366 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 332' ' ' TRP . . . . . 0.413 ' N ' ' CG ' ' B' ' 331' ' ' LYS . 76.9 t90 -61.74 -48.08 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.321 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -65.08 -38.93 92.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.372 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.85 98.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.687 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -60.75 -44.37 96.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.391 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -64.02 -40.96 97.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.438 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -66.15 -35.21 79.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.98 -43.11 99.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.685 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 40.1 pt -87.26 21.15 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.904 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -86.01 -110.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.744 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.71 -0.5 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.755 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 13.9 tptm . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.56 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.96 140.58 58.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.786 0.327 . . . . 0.0 110.561 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 mmt -87.58 77.69 8.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 110.779 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.82 149.11 9.38 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -101.55 -47.89 4.51 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.743 0.306 . . . . 0.0 110.453 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -143.04 145.83 33.27 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -118.2 -3.83 11.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.659 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -82.56 134.98 35.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.566 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 49.71 36.91 11.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.465 ' O ' ' OD1' ' A' ' 10' ' ' ASN . 42.3 t-20 -123.81 5.39 8.77 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.844 0.354 . . . . 0.0 110.448 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.06 117.92 30.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.81 0.338 . . . . 0.0 110.501 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -131.38 138.25 49.05 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.739 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -128.64 142.87 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.025 0.441 . . . . 0.0 110.173 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -93.92 117.59 30.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.0 mt -112.27 115.14 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.42 -179.9 16.52 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 63.96 32.32 13.18 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.932 0.396 . . . . 0.0 110.714 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.62 139.3 39.1 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.451 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.44 138.09 58.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.241 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -60.17 -19.17 52.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.22 -29.72 70.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 22' ' ' LEU . 11.1 mp -69.85 125.18 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.261 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.8 p -106.32 -173.94 2.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.634 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.44 -39.95 89.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.625 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.32 -44.83 97.13 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.0 t70 -62.99 -48.53 78.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 111.051 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.96 -45.96 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.324 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' OG ' ' A' ' 32' ' ' SER . 14.1 mt -59.86 -48.66 80.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.47 HG23 ' O ' ' B' ' 319' ' ' TRP . 96.0 m -63.49 -42.42 98.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.049 0.452 . . . . 0.0 110.994 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 26' ' ' ASP . 61.9 t -61.7 -48.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.164 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -85.74 -15.97 40.42 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.476 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 3.2 m -46.49 -58.06 4.13 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.894 0.378 . . . . 0.0 111.687 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -65.58 -26.29 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.03 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.436 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 58.5 m-85 -100.74 34.76 2.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.672 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.44 72.02 0.95 Allowed Glycine 0 C--N 1.34 0.786 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.21 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -56.38 124.47 61.49 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-O 120.955 0.407 . . . . 0.0 110.848 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.69 159.47 35.18 Favored 'Trans proline' 0 N--CA 1.489 1.214 0 C-N-CA 123.06 2.507 . . . . 0.0 112.525 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -90.47 -16.87 8.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.645 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -173.27 155.92 3.02 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.722 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -140.47 150.53 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.657 0.265 . . . . 0.0 110.33 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.4 mt -111.04 119.39 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.855 0.36 . . . . 0.0 110.314 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 42' ' ' LEU . 4.3 mm? -96.7 108.04 20.61 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.0 t -74.92 125.89 29.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.674 ' NE ' HE21 ' A' ' 52' ' ' GLN . 41.9 ttm180 -147.61 130.37 16.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.47 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -83.53 122.8 29.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.444 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -76.89 -6.61 53.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.31 -40.58 96.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -126.01 -16.03 5.69 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.782 0.325 . . . . 0.0 110.577 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.17 1.0 90.26 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' H ' HG23 ' A' ' 48' ' ' THR . 88.2 tt0 -135.85 127.62 29.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.478 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.6 m -174.38 -81.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.674 HE21 ' NE ' ' A' ' 44' ' ' ARG . 28.3 mp0 44.46 -134.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.76 -14.31 64.48 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.43 160.52 26.44 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.96 163.93 39.11 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.656 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -111.79 120.86 43.41 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.132 0.492 . . . . 0.0 110.559 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.87 144.03 26.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.506 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -120.9 106.31 11.51 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.9 0.381 . . . . 0.0 110.674 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.615 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 47.5 t80 -114.25 167.15 10.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.306 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.615 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 81.3 mm-40 -75.46 -59.0 2.94 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 95.4 m-20 -115.45 130.1 56.78 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.838 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' OG1' ' A' ' 65' ' ' THR . 19.0 pt20 -59.77 -22.43 62.1 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.932 0.396 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' ILE . 89.6 mtm180 -60.5 -22.07 63.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.601 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.544 ' OG ' ' CE2' ' A' ' 59' ' ' TYR . 82.9 p -78.26 -35.68 47.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.901 0.381 . . . . 0.0 111.383 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 69' ' ' VAL . 39.9 p -65.28 -32.51 74.2 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.732 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 63' ' ' ARG . 13.9 tt -48.54 -31.76 3.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.639 ' CD1' HD12 ' B' ' 313' ' ' ILE . 8.9 mt -70.29 -53.39 17.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.159 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -63.67 -35.0 79.1 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.686 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 65' ' ' THR . 74.5 t -59.74 -49.41 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.314 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -86.2 -11.09 53.39 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 90.0 m-20 -100.59 -14.65 18.09 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD12 ' HB1' ' A' ' 68' ' ' ALA . 77.3 mt -120.73 -16.34 8.23 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.005 0.431 . . . . 0.0 111.595 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 5.7 t30 -68.49 116.84 9.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.33 7.76 79.1 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' CD1' ' CB ' ' B' ' 326' ' ' ASN . 24.5 t80 -94.58 124.65 38.74 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 110.337 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -76.49 130.1 37.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.73 130.1 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 66.97 23.1 72.67 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.71 -8.9 79.11 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -134.45 155.45 50.32 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 122.622 -0.34 . . . . 0.0 110.78 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.55 135.63 40.68 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.707 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.799 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -93.7 156.22 16.81 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -123.43 126.8 47.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 84' ' ' ILE . 5.3 mp -110.98 135.54 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.36 0.6 . . . . 0.0 109.925 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 40.4 t0 -150.2 149.0 29.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.796 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.459 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 47.1 m-70 -78.61 130.46 35.94 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.13 -30.73 4.59 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.781 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 54.25 31.22 13.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.397 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -79.78 130.36 35.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.875 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.492 ' O ' ' CE2' ' A' ' 89' ' ' TYR . 3.0 mpt_? -83.13 148.51 56.58 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.05 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -48.41 147.96 8.33 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 123.023 2.482 . . . . 0.0 112.053 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.93 -174.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 62.05 22.19 12.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.238 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.5 m -133.24 154.97 50.18 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.707 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 95' ' ' LEU . 17.6 tp -135.69 51.05 2.07 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.437 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 46.0 50.53 11.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.727 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 43.1 47.44 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.563 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 100' ' ' GLU . 29.1 t80 -52.11 -17.26 1.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.83 66.67 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.505 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' TYR . 31.7 tp10 -175.01 -38.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 110.669 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 105' ' ' GLU . . . -68.3 -27.85 66.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.669 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -55.57 -30.22 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.047 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -101.46 -24.4 14.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.753 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -100.21 3.95 44.01 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.881 0.372 . . . . 0.0 110.794 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 101' ' ' ALA . 19.1 pt-20 -57.29 138.2 55.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.625 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tp 54.41 24.98 5.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.468 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -157.31 106.59 2.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.735 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -170.0 -55.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.478 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -154.45 72.43 0.87 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 111' ' ' VAL . 16.1 tt -168.9 -53.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.42 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.659 ' N ' HG23 ' A' ' 110' ' ' ILE . 14.4 p -78.32 -36.29 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.599 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.405 ' N ' HG13 ' A' ' 111' ' ' VAL . 82.5 p -72.35 157.57 37.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -130.49 159.51 36.88 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.48 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -73.19 87.29 1.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.324 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -61.58 -38.79 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.718 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.16 86.63 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -83.44 120.94 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.471 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.909 -1.044 . . . . 0.0 110.481 -179.884 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 50.8 p90 . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.99 139.28 58.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.289 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 304' ' ' LYS . . . . . 0.601 ' H ' ' CD ' ' B' ' 304' ' ' LYS . 0.0 OUTLIER -67.18 151.17 97.42 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.87 -27.82 36.78 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.863 2.375 . . . . 0.0 112.097 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -109.89 154.59 42.53 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.716 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.33 150.91 84.36 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.799 2.333 . . . . 0.0 112.103 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 308' ' ' GLU . . . . . 0.525 ' OE1' ' CE1' ' B' ' 333' ' ' PHE . 3.2 pp20? -57.87 142.61 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.466 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 309' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' B' ' 308' ' ' GLU . 25.6 m-80 -170.83 146.37 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -84.12 -6.15 59.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 311' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 8.8 m-85 -114.28 -175.89 2.78 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.47 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -141.51 44.75 1.73 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.68 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 313' ' ' ILE . . . . . 0.639 HD12 ' CD1' ' A' ' 67' ' ' LEU . 82.4 mt -84.37 123.22 38.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 314' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.0 OUTLIER -68.43 148.34 98.16 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.238 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.67 159.71 48.06 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 123.033 2.489 . . . . 0.0 112.192 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -103.36 153.25 18.02 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 88.8 p -61.72 -36.43 80.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.575 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -66.25 -3.9 6.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.652 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.1 t90 -63.11 -14.77 52.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.23 0.538 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 28.0 t0 62.94 -20.01 0.05 Allowed 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.759 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 321' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 92.2 9.52 61.92 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 322' ' ' VAL . . . . . 0.402 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 80.5 t -71.09 135.11 28.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.841 0.353 . . . . 0.0 110.412 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -81.05 120.91 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.359 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' B' ' 324' ' ' ARG . 11.2 mmp_? -132.71 106.32 7.7 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 22.0 m -160.55 140.85 11.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.779 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 326' ' ' ASN . . . . . 0.518 ' O ' ' ND2' ' B' ' 326' ' ' ASN . 0.8 OUTLIER -171.14 51.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.614 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -100.35 120.67 6.96 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -67.39 -24.57 65.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.731 0.301 . . . . 0.0 110.212 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.44 -19.82 50.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.401 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -48.45 -31.05 5.74 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.461 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -56.27 -28.57 59.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.399 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -60.9 -44.99 96.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.14 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 333' ' ' PHE . . . . . 0.525 ' CE1' ' OE1' ' B' ' 308' ' ' GLU . 73.0 m-85 -64.04 -39.53 94.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.218 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.55 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.502 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.28 -39.22 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.368 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 336' ' ' GLN . . . . . 0.482 ' O ' HG22 ' B' ' 339' ' ' ILE . 72.2 mm-40 -65.41 -24.67 67.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.65 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -86.88 -41.43 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.113 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -64.99 -39.82 94.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.781 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 339' ' ' ILE . . . . . 0.482 HG22 ' O ' ' B' ' 336' ' ' GLN . 9.0 tp -57.84 -27.5 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 340' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' B' ' 339' ' ' ILE . 7.0 m120 59.94 148.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.38 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -61.87 -38.8 89.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.501 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.906 0.384 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -135.91 144.78 45.7 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.713 HD11 HD11 ' A' ' 57' ' ' LEU . 8.1 pt -129.51 146.44 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 121.055 0.455 . . . . 0.0 110.483 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -92.82 129.98 38.57 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.848 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.555 HD11 HD21 ' A' ' 57' ' ' LEU . 60.5 mt -116.31 120.95 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.828 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.6 169.73 20.69 Favored Glycine 0 N--CA 1.472 1.045 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 35.3 t-20 61.36 44.29 9.74 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.98 0.419 . . . . 0.0 110.533 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 156.33 17.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.275 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.5 143.51 57.86 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.934 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -64.75 -40.28 95.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -73.82 -11.18 60.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.7 122.05 12.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.348 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -106.05 179.16 4.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.53 -39.35 90.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.15 -44.42 97.38 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.5 m-20 -63.59 -43.08 98.01 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.736 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.94 -44.95 99.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.403 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 32' ' ' SER . 21.9 mt -60.46 -43.85 96.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.592 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.4 m -63.49 -42.64 98.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.857 0.36 . . . . 0.0 111.002 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 26' ' ' ASP . 71.2 t -61.68 -49.5 84.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.171 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -86.76 -12.79 47.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.828 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.8 t -43.63 -56.87 3.47 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -68.92 -39.49 79.62 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.096 0.474 . . . . 0.0 111.695 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -78.94 33.35 0.22 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.6 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 59' ' ' TYR . . . 98.11 71.27 1.02 Allowed Glycine 0 C--N 1.34 0.802 0 C-N-CA 119.574 -1.298 . . . . 0.0 111.904 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.5 p -56.88 126.92 73.81 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.043 -176.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 74.2 Cg_endo -76.8 161.12 33.75 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 123.278 2.652 . . . . 0.0 112.037 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.5 m -94.96 -8.16 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -160.89 143.73 12.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.743 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.14 126.38 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.1 mt -110.03 126.6 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.591 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 55' ' ' ALA . 16.1 mt -118.11 124.99 49.39 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.944 0.402 . . . . 0.0 110.606 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.9 m -73.16 139.59 46.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.622 179.715 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.441 ' O ' ' CD1' ' A' ' 54' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 53' ' ' GLY . 5.5 m-85 -150.47 144.23 25.26 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.371 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.576 ' HB2' HD23 ' A' ' 42' ' ' LEU . . . -154.82 147.53 24.34 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.606 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 56' ' ' TYR . 2.6 m-85 -141.53 136.95 31.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.193 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.713 HD11 HD11 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -127.66 146.49 50.54 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 17.8 ttmm -88.12 129.09 35.41 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 110.905 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -96.67 142.17 29.03 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.351 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.61 -41.63 97.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.944 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -123.06 135.62 54.49 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.926 0.393 . . . . 0.0 110.515 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.537 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 10.1 pm0 -69.81 -23.94 63.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -80.78 -29.37 36.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.945 0.402 . . . . 0.0 110.437 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.4 m -67.6 -23.95 65.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.544 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.696 ' O ' HG23 ' A' ' 69' ' ' VAL . 81.9 p -60.17 -27.37 67.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.39 -40.14 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.449 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 38.7 mt -56.33 -60.33 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.638 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.81 77.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.027 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 65' ' ' THR . 78.0 t -60.0 -65.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.303 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.26 -16.45 62.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 98.5 m-20 -90.55 -51.02 5.61 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.9 mm? -90.8 8.08 36.56 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.407 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 8.2 t-20 -78.61 109.67 13.03 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.12 1.88 90.2 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.543 ' CZ ' ' O ' ' B' ' 325' ' ' SER . 47.3 t80 -70.19 134.44 48.09 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -89.13 128.74 35.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.013 0.435 . . . . 0.0 111.786 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.5 mt -141.59 110.64 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.08 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 20.26 79.55 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.61 10.33 73.43 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -126.91 130.76 50.76 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.015 0.436 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.541 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -82.6 126.14 31.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.8 142.8 48.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -120.01 102.67 8.71 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.14 136.2 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.122 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -154.24 153.51 31.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -75.43 141.03 43.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.1 p -91.19 178.49 5.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.748 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -145.17 -5.6 0.68 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.74 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 28.0 p90 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.456 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.173 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.32 72.56 7.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.399 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.91 125.11 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.074 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 6.1 ptp -67.16 148.27 98.84 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.34 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.7 162.46 41.17 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 123.011 2.474 . . . . 0.0 112.217 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -118.98 168.16 13.27 Favored Glycine 0 N--CA 1.469 0.834 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 75.5 m -61.85 -36.69 81.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.938 0.399 . . . . 0.0 110.473 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -54.46 -25.33 24.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.699 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.649 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.1 t90 -60.67 -8.5 2.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.131 0.491 . . . . 0.0 111.483 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 11.1 t70 62.48 -22.61 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.649 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 88.74 17.21 57.05 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.502 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 25.1 m -74.29 152.94 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -68.81 124.32 23.36 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.834 0.349 . . . . 0.0 111.213 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -138.47 110.03 7.04 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . 0.543 ' O ' ' CZ ' ' A' ' 75' ' ' PHE . 57.9 m . . . . . 0 N--CA 1.469 0.485 0 CA-C-O 120.921 0.391 . . . . 0.0 110.739 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.952 0.406 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -56.83 -20.75 24.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.635 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -49.05 -24.73 1.69 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -56.74 -30.62 63.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -61.61 -47.12 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.89 -39.78 93.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.403 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.93 98.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.652 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -61.84 -40.78 96.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.755 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -64.38 -42.1 96.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.32 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.01 -30.16 66.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.464 0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.689 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.827 0.346 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 87' ' ' THR . 76.3 m-85 -120.31 152.07 38.33 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.793 HD11 HD11 ' A' ' 57' ' ' LEU . 21.0 pt -115.24 137.59 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.144 0.497 . . . . 0.0 110.121 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -82.14 116.82 21.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.178 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.7 mt -108.79 97.73 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.21 173.42 30.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 50.25 39.29 19.58 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.752 0.311 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt -86.26 127.51 34.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -67.3 129.19 39.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.385 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -66.46 -23.31 66.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.59 -30.44 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 22' ' ' LEU . 7.7 mp -76.85 138.02 39.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.548 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -107.1 -170.46 1.71 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.96 -43.62 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.71 -41.2 99.57 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 30' ' ' VAL . 95.0 m-20 -62.27 -44.98 95.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 110.943 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.55 -42.49 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.366 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' SER . 28.4 mt -61.32 -46.15 91.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.565 HG23 ' O ' ' B' ' 319' ' ' TRP . 16.9 m -63.9 -39.37 94.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.993 0.425 . . . . 0.0 110.672 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 26' ' ' ASP . 69.3 t -63.38 -50.15 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.266 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -86.4 -12.9 47.89 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.666 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.4 m -42.08 -56.31 2.89 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.59 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -68.32 -37.76 80.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 111.201 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.41 ' CZ ' ' ND2' ' A' ' 71' ' ' ASN . 54.3 m-85 -83.95 35.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.591 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.51 71.16 0.97 Allowed Glycine 0 N--CA 1.468 0.782 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.596 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.8 p -53.2 107.29 0.81 Allowed Pre-proline 0 CA--C 1.535 0.366 0 CA-C-O 121.241 0.544 . . . . 0.0 110.758 -177.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.683 ' HG3' HD13 ' A' ' 57' ' ' LEU . 29.1 Cg_exo -60.28 155.3 46.94 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 123.056 2.504 . . . . 0.0 112.312 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.455 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 23.8 m -94.81 -25.93 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.042 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 38' ' ' VAL . 90.6 m-20 -145.72 136.84 24.73 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -127.3 129.06 70.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.726 0.298 . . . . 0.0 110.416 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.434 HD12 ' OH ' ' A' ' 89' ' ' TYR . 95.6 mt -100.78 124.56 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.716 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 42' ' ' LEU . 3.5 mm? -103.16 108.38 19.55 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.153 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.462 ' OG ' ' CE2' ' A' ' 54' ' ' PHE . 83.5 p -69.6 155.3 40.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.566 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.734 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.462 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 46.9 p90 -158.01 158.86 35.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.669 0.271 . . . . 0.0 110.559 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.66 167.24 30.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.568 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -130.67 128.47 40.98 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.797 0.332 . . . . 0.0 110.745 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 13' ' ' ILE . 4.4 pp -132.27 146.62 52.12 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.491 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -129.35 143.03 50.68 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.746 0.308 . . . . 0.0 111.106 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 42.2 t80 -117.88 167.84 11.04 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.666 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.566 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 45.5 tp10 -59.92 -42.99 95.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.529 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -104.89 113.19 26.63 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.95 0.405 . . . . 0.0 110.63 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -63.66 -33.25 75.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -58.62 -29.44 66.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.713 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.1 m -60.6 -25.53 66.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.794 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.5 p -62.37 -25.34 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.51 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.69 -39.03 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.37 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' B' ' 311' ' ' PHE . 23.9 mt -55.69 -49.22 73.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.721 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.53 94.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.12 -32.04 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.782 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -91.51 -13.97 31.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.221 -0.299 . . . . 0.0 111.567 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.41 ' ND2' ' CZ ' ' A' ' 34' ' ' TYR . 40.7 t30 -118.36 -55.02 2.26 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 7.1 mp -90.06 21.47 3.69 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -85.51 108.06 17.75 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.261 -0.274 . . . . 0.0 110.561 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.64 2.81 70.65 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -63.66 126.56 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.688 0.28 . . . . 0.0 110.634 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -69.42 115.22 8.44 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.793 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 80' ' ' ARG . 16.2 tt -142.46 132.47 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.12 19.88 78.75 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.38 74.61 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' ILE . 97.2 mtt180 -136.84 153.71 50.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.832 0.348 . . . . 0.0 110.664 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.06 129.52 38.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -87.06 148.9 25.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.088 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -103.4 119.53 39.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.353 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.36 116.92 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.85 0.357 . . . . 0.0 110.287 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -143.93 161.39 38.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.432 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -88.86 131.77 34.96 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.37 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 12' ' ' TYR . 6.7 t -138.92 143.87 38.84 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -127.45 42.21 3.37 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.434 ' OH ' HD12 ' A' ' 41' ' ' ILE . 22.5 p90 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.484 ' CD1' HD21 ' A' ' 67' ' ' LEU . 78.9 m-85 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 120.695 0.284 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -125.77 49.12 1.98 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.82 0.343 . . . . 0.0 111.109 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 33.2 mm -80.27 127.62 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.04 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -89.14 118.54 69.28 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.107 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.74 147.26 32.18 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 123.256 2.637 . . . . 0.0 111.999 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -118.32 162.94 13.08 Favored Glycine 0 N--CA 1.469 0.874 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 67.9 m -60.74 -36.93 80.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.148 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -53.95 -22.01 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.36 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' THR . 20.6 t90 -61.87 -23.15 66.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.305 0.574 . . . . 0.0 111.473 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 20.2 t0 65.22 -11.29 0.16 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.731 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 81.13 18.95 68.16 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 29' ' ' THR . 8.7 p -63.29 150.57 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 O-C-N 122.711 -0.288 . . . . 0.0 110.442 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -81.8 133.23 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.824 0.345 . . . . 0.0 110.662 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.887 ' HE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -139.81 142.53 36.66 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.848 0.356 . . . . 0.0 110.167 -179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.499 179.339 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 72.4 t80 . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 120.804 0.335 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.31 -19.73 62.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.032 0.444 . . . . 0.0 110.777 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -47.99 -35.67 11.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -57.53 -37.46 73.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.986 0.422 . . . . 0.0 110.235 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -65.71 -45.46 82.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.349 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -45.93 88.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.138 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.27 93.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.456 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -57.77 -44.21 86.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.17 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.78 -37.75 88.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.574 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -89.03 -3.37 58.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.757 0.313 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 89' ' ' TYR . 38.5 m-85 -131.11 149.45 52.59 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.458 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -110.94 119.32 59.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -85.36 117.7 24.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.9 mt -114.29 128.81 71.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -142.03 172.79 23.98 Favored Glycine 0 N--CA 1.465 0.62 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 64.99 37.85 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.784 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.02 149.24 24.45 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.059 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -70.24 139.29 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.341 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HD2' ' H ' ' A' ' 20' ' ' ARG . 2.4 mpt_? -69.91 -17.95 63.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.229 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -64.93 -24.43 67.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.22 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.0 mt -85.76 139.1 31.6 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.325 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.1 p -106.01 -173.38 2.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.02 -41.27 96.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.455 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.5 -41.07 99.36 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' VAL . 96.6 m-20 -62.73 -42.82 99.85 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.822 0.344 . . . . 0.0 110.799 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -62.63 -44.23 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.076 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.9 mt -56.95 -48.0 79.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.246 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.596 HG23 ' O ' ' B' ' 319' ' ' TRP . 79.7 m -60.91 -43.25 98.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 111.364 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 26' ' ' ASP . 62.9 t -61.19 -47.23 94.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -85.54 -13.58 48.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.433 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' LEU . 27.7 t -47.55 -56.26 7.49 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -177.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -68.53 -25.42 64.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.912 0.387 . . . . 0.0 111.314 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -96.85 35.1 1.59 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.746 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' CE1' ' A' ' 59' ' ' TYR . . . 100.09 68.21 0.86 Allowed Glycine 0 C--N 1.342 0.869 0 C-N-CA 119.512 -1.328 . . . . 0.0 111.965 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.2 p -58.05 119.34 33.72 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.99 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.4 159.09 43.85 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 123.058 2.506 . . . . 0.0 112.374 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 38' ' ' VAL . 16.3 m -91.8 -16.75 7.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.2 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 58.3 t0 -172.78 139.83 0.92 Allowed 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.773 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 10.5 m -129.25 149.59 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -112.73 125.68 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mp -110.26 101.55 10.29 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.24 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.7 t -70.97 136.04 48.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.451 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 . . . . . 0 N--CA 1.469 0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.733 179.822 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -155.01 151.23 28.2 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.262 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.64 163.98 37.69 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -110.55 134.12 52.68 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.886 0.374 . . . . 0.0 110.494 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.36 145.29 37.77 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -131.07 108.23 9.62 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.363 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.447 ' CE1' ' C ' ' A' ' 35' ' ' GLY . 45.1 t80 -106.95 155.58 19.63 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -60.57 -42.05 95.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.733 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -107.72 156.33 19.21 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.322 0.582 . . . . 0.0 111.337 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -85.98 -21.78 27.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.325 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -66.74 -27.85 67.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.5 p -61.73 -22.53 65.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 69' ' ' VAL . 80.6 p -64.51 -36.89 85.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.69 -41.86 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.068 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' B' ' 311' ' ' PHE . 39.6 mt -61.87 -62.63 1.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.485 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.32 -36.51 14.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.634 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 65' ' ' THR . 68.8 t -69.51 -68.43 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.034 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -59.11 -14.8 11.2 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 26.1 m120 -91.16 -48.04 7.18 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.8 mt -101.51 0.95 37.52 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 35.1 t30 -80.25 115.58 19.88 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.55 -9.27 77.54 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -78.42 117.04 19.26 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -77.93 109.85 12.34 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.222 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 10.6 tt -121.15 129.39 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.039 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.18 15.8 72.55 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.24 -1.5 84.54 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -128.92 148.45 50.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.937 0.398 . . . . 0.0 110.781 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.32 151.33 23.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 82' ' ' LEU . 4.6 mp -93.34 153.86 18.31 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.592 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -122.58 100.69 7.06 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.443 ' CG2' HG22 ' A' ' 69' ' ' VAL . 5.9 mm -100.89 132.02 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.694 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -150.53 144.06 25.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.017 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -78.26 140.85 38.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.4 t -147.26 143.77 28.37 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -97.21 15.71 21.95 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.023 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 51.7 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.989 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.726 ' CD1' HD21 ' A' ' 67' ' ' LEU . 13.1 m-85 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 120.993 0.425 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -160.74 46.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.491 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 28.6 mm -63.45 128.69 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.291 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . 0.541 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.2 mpt? -77.86 150.34 78.31 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.49 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.68 160.06 49.83 Favored 'Trans proline' 0 N--CA 1.502 1.972 0 C-N-CA 122.759 2.306 . . . . 0.0 111.956 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -121.01 167.55 14.02 Favored Glycine 0 N--CA 1.47 0.92 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 89.6 p -63.38 -30.2 71.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -68.42 -15.69 63.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.49 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.596 ' O ' HG23 ' A' ' 29' ' ' THR . 20.9 t90 -61.22 -25.54 67.13 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.386 0.612 . . . . 0.0 111.267 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.48 2.83 0.1 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 71.88 19.24 78.1 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 69.9 t -69.73 145.09 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.514 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -69.27 137.1 52.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.46 146.02 41.58 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.041 0.448 . . . . 0.0 109.86 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 CA--C 1.516 -0.345 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.314 179.778 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.285 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.462 ' OE1' ' NE1' ' B' ' 332' ' ' TRP . 78.6 mm-40 -55.03 -21.07 10.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.775 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -57.91 -19.85 32.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.695 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.544 ' CG ' ' H ' ' B' ' 332' ' ' TRP . 0.1 OUTLIER -59.65 -61.3 2.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.31 -179.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . 0.544 ' H ' ' CG ' ' B' ' 331' ' ' LYS . 62.9 p-90 -72.81 -24.41 60.91 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.027 0.442 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -67.89 -46.78 70.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.766 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.82 87.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.636 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -60.56 -42.41 96.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.498 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -63.04 -42.05 99.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.295 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -72.62 -27.94 62.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.338 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.574 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.798 0.332 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.427 ' O ' HG22 ' A' ' 87' ' ' THR . 12.1 m-85 -138.62 153.42 48.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.701 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 13' ' ' ILE . 2.8 mt -100.57 118.89 47.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -73.73 109.65 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.063 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.3 mt -110.76 111.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.64 177.12 19.92 Favored Glycine 0 N--CA 1.469 0.845 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 44.4 t30 55.58 38.96 30.88 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.785 0.326 . . . . 0.0 110.266 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.93 155.39 18.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -69.75 125.39 26.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.324 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -57.06 -18.21 13.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.48 -30.67 70.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.259 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.86 133.44 46.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.415 ' H ' ' HB2' ' A' ' 26' ' ' ASP . 61.0 p -105.52 -178.11 3.56 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.465 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -59.9 -47.14 86.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.205 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -37.41 94.63 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 30' ' ' VAL . 97.9 m-20 -62.11 -40.2 95.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.722 0.296 . . . . 0.0 110.505 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.89 -43.62 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.076 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 32' ' ' SER . 20.7 mt -57.4 -49.68 75.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.495 HG23 ' O ' ' B' ' 319' ' ' TRP . 60.7 m -61.11 -41.01 95.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 111.205 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 26' ' ' ASP . 78.6 t -62.72 -47.97 90.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.393 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -89.39 -15.43 33.28 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.5 p -47.37 -57.85 4.82 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.567 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -67.16 -12.29 59.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.232 0.539 . . . . 0.0 111.424 -179.344 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.507 ' CE1' ' OD1' ' A' ' 71' ' ' ASN . 54.5 m-85 -110.66 34.64 3.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.997 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.01 69.52 0.96 Allowed Glycine 0 C--N 1.339 0.73 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.155 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.2 p -55.47 123.01 48.04 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.914 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.1 160.83 36.2 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 123.239 2.626 . . . . 0.0 111.946 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.39 -0.32 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -167.12 143.27 4.32 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.53 124.78 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.402 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.9 mt -109.85 120.4 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.9 mt -104.8 132.07 51.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.632 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -70.82 123.53 22.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.363 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.673 -179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 53' ' ' GLY . 21.3 m-85 -142.75 148.9 37.97 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 122.757 -0.26 . . . . 0.0 110.512 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.03 147.15 26.77 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.983 0.421 . . . . 0.0 110.615 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -138.89 120.83 15.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.108 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -117.49 141.86 47.85 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.679 0.276 . . . . 0.0 110.53 -179.408 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.8 tttp -92.32 126.19 37.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.41 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 28.4 p90 -104.39 159.82 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.694 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -76.84 -43.68 35.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.024 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 67.4 m-20 -125.67 150.62 47.47 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.985 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.496 ' NE2' ' H ' ' A' ' 62' ' ' GLN . 3.9 mp0 -64.94 -18.24 65.06 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.966 0.412 . . . . 0.0 110.404 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -59.07 -32.54 69.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.079 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 t -61.02 -39.99 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.65 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 69' ' ' VAL . 56.5 p -64.86 -46.79 80.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.33 -42.91 92.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.54 HD21 ' HD1' ' B' ' 311' ' ' PHE . 25.1 mt -64.93 -60.68 2.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.475 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.49 -38.97 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.475 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 65' ' ' THR . 52.2 t -59.26 -68.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.792 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -64.26 -20.37 66.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.949 0.404 . . . . 0.0 111.965 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.507 ' OD1' ' CE1' ' A' ' 34' ' ' TYR . 6.3 m120 -82.19 -33.06 29.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.022 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.4 mt -114.42 -0.88 13.63 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.962 0.411 . . . . 0.0 111.58 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 21.9 t-20 -76.32 110.25 10.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.236 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.45 -0.73 55.72 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.536 ' CE2' ' CG1' ' A' ' 77' ' ' ILE . 10.0 t80 -95.26 121.91 37.4 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.16 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -83.26 138.32 33.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.351 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.536 ' CG1' ' CE2' ' A' ' 75' ' ' PHE . 78.7 mt -137.24 123.54 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.526 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.65 19.27 77.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.57 -10.75 72.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -116.82 143.21 45.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.837 0.351 . . . . 0.0 110.562 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.528 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -94.4 121.53 36.02 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.758 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.557 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.0 154.24 33.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.942 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -114.03 120.28 40.07 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.904 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 mm -107.04 116.13 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -149.61 144.81 26.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -71.04 144.38 50.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.485 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 12' ' ' TYR . 1.8 t -140.03 139.45 35.98 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.912 0.387 . . . . 0.0 110.58 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -88.83 1.49 55.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.195 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 43.8 t80 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.294 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.54 ' HD1' HD21 ' A' ' 67' ' ' LEU . 26.2 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.841 0.353 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -88.56 35.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.17 113.08 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.301 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 21.8 ptp -92.05 154.36 43.35 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.379 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -54.65 139.01 76.57 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 123.134 2.556 . . . . 0.0 112.189 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -88.81 173.57 41.77 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 87.6 p -71.76 -22.83 61.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.672 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -70.28 -10.49 59.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.631 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.8 t90 -61.34 -17.01 51.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.712 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 15.3 t0 60.45 -12.29 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.631 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 83.84 12.53 77.11 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.416 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 24.6 t -62.19 150.46 8.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.839 0.352 . . . . 0.0 110.326 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -65.55 145.63 55.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.597 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' A' ' 33' ' ' GLU . 39.2 ptt180 -137.58 156.23 48.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.724 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 120.92 0.39 . . . . 0.0 110.773 -179.827 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 CA--C 1.526 0.058 0 CA-C-O 120.806 0.336 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -65.26 -21.09 66.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.709 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -50.28 -34.54 23.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.525 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 21.0 pttp -58.18 -41.57 84.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.5 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . 0.47 ' O ' ' OE1' ' B' ' 336' ' ' GLN . 86.8 t90 -62.62 -48.35 79.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.29 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -63.48 -38.73 92.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.302 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.6 89.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.299 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -62.75 -42.36 99.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.23 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . 0.47 ' OE1' ' O ' ' B' ' 332' ' ' TRP . 3.3 mp0 -61.79 -36.54 81.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.602 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -80.23 -43.2 21.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.05 0.452 . . . . 0.0 111.227 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.567 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 120.741 0.305 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -127.6 140.17 52.28 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.946 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -121.58 143.91 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -91.63 119.4 31.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.9 mt -109.3 106.0 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.92 175.41 25.18 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 59.53 46.36 12.23 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -85.51 137.71 32.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.116 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.502 ' HB2' HD23 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -86.79 160.03 18.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.964 0.411 . . . . 0.0 110.693 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -70.33 -40.27 74.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.759 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' OE2' ' OD1' ' A' ' 19' ' ' ASN . 17.5 pm0 -68.23 -21.74 64.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.03 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.502 HD23 ' HB2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -61.38 114.4 3.18 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.328 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -101.67 170.92 7.86 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.827 0.346 . . . . 0.0 110.504 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.4 mp0 -62.91 -40.65 98.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.383 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.51 -41.96 99.66 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.88 -43.81 98.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.636 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.97 -43.83 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.355 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 32' ' ' SER . 8.8 mt -57.16 -44.5 83.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.287 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 319' ' ' TRP . 84.7 m -60.15 -40.14 88.82 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.16 0.505 . . . . 0.0 110.742 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 53.4 t -60.88 -48.29 89.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.433 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -87.72 -14.64 39.25 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.905 0.383 . . . . 0.0 111.769 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' LEU . 70.8 p -44.39 -60.23 2.04 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.516 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 87.4 tt0 -67.47 -35.99 80.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.567 . . . . 0.0 111.776 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.483 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 3.1 m-85 -86.32 34.28 0.63 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.177 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.96 74.53 1.15 Allowed Glycine 0 CA--C 1.527 0.837 0 C-N-CA 120.012 -1.089 . . . . 0.0 112.041 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.3 p -53.94 112.96 4.31 Favored Pre-proline 0 CA--C 1.547 0.85 0 CA-C-O 121.111 0.482 . . . . 0.0 110.843 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.99 159.0 27.17 Favored 'Trans proline' 0 N--CA 1.504 2.137 0 C-N-CA 123.764 2.976 . . . . 0.0 111.699 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 38' ' ' VAL . 23.7 m -92.5 -25.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.747 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -156.39 143.9 19.23 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.644 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.453 HG13 HD12 ' A' ' 57' ' ' LEU . 94.8 t -129.21 131.96 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.8 114.81 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tp -112.9 101.44 9.5 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.697 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.8 t -67.49 141.06 57.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.384 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 . . . . . 0 N--CA 1.466 0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.418 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.726 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -149.45 158.14 43.91 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.824 0.345 . . . . 0.0 110.741 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.29 153.52 25.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -109.72 127.43 54.6 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.986 0.422 . . . . 0.0 109.991 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.453 HD12 HG13 ' A' ' 40' ' ' VAL . 2.2 tp -110.25 130.66 55.51 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.849 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -93.83 110.97 22.6 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 120.879 0.371 . . . . 0.0 110.038 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' OG ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -100.29 133.06 45.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -70.38 -41.22 73.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.547 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' OG ' ' A' ' 64' ' ' SER . 89.9 m-20 -120.29 138.41 53.7 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.846 0.355 . . . . 0.0 110.806 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -68.46 -33.92 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.5 mtm-85 -61.5 -35.1 76.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.006 0.431 . . . . 0.0 111.178 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.514 ' OG ' ' CD1' ' A' ' 59' ' ' TYR . 93.2 p -59.4 -32.93 70.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.181 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.702 ' O ' HG23 ' A' ' 69' ' ' VAL . 69.6 p -59.07 -30.55 68.15 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.588 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.43 -41.81 91.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.148 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.522 HD21 ' CD1' ' B' ' 311' ' ' PHE . 30.2 mt -62.8 -52.12 64.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.65 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.51 98.99 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 121.02 0.438 . . . . 0.0 111.857 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 65' ' ' THR . 70.0 t -57.56 -65.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.513 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.99 -18.8 61.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.89 0.376 . . . . 0.0 111.996 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -87.62 -42.82 12.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 72' ' ' LEU . 4.4 mm? -95.57 -18.27 20.73 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.042 0.449 . . . . 0.0 111.82 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 23.7 t-20 -58.62 118.36 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.722 0.296 . . . . 0.0 110.356 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.19 0.27 89.52 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -78.24 132.93 37.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -90.56 109.47 20.62 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 80' ' ' ARG . 4.9 tt -123.86 143.78 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.601 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.97 -130.21 43.3 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.33 -72.15 1.02 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ILE . 2.7 mpp_? -102.23 167.07 10.23 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.892 0.377 . . . . 0.0 110.076 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.15 110.21 12.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.636 ' N ' HD23 ' A' ' 82' ' ' LEU . 1.7 pt? -50.22 144.66 6.91 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.464 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -108.39 127.92 54.31 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.062 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mm -104.06 125.15 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.793 0.33 . . . . 0.0 110.198 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 42.0 t0 -151.29 147.39 26.9 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.611 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 37.3 m170 -78.96 147.15 33.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.563 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.2 t -154.68 135.28 13.48 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.624 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -87.8 14.45 8.65 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.38 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.402 -179.859 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.522 ' CD1' HD21 ' A' ' 67' ' ' LEU . 28.5 m-85 . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 120.741 0.305 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -125.07 35.77 4.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.739 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 67' ' ' LEU . 83.6 mt -93.08 121.76 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.846 0.355 . . . . 0.0 110.139 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 11.2 ptp -77.24 150.54 80.45 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.621 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.02 165.01 33.96 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 123.331 2.687 . . . . 0.0 111.98 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -120.91 165.19 14.06 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . 0.438 ' C ' ' H ' ' B' ' 319' ' ' TRP . 38.9 t -61.3 -42.99 99.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 110.586 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -54.76 -9.33 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.374 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.596 ' C ' ' H ' ' B' ' 321' ' ' GLY . 18.8 t90 -62.67 -15.03 50.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.452 0.644 . . . . 0.0 111.359 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 22.3 t0 56.93 -5.03 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 81.24 7.83 87.96 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.544 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 68.8 t -88.82 121.29 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.819 0.342 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' B' ' 323' ' ' HIS . 36.5 p-80 -101.19 123.31 45.13 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -133.1 106.38 7.59 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.541 179.777 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' B' ' 329' ' ' GLU . 20.8 p90 . . . . . 0 C--O 1.225 -0.22 0 CA-C-O 120.663 0.268 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.554 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 15.2 tm-20 -62.35 -30.69 71.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.962 0.411 . . . . 0.0 110.81 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.87 -30.51 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.72 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -50.16 -29.21 8.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.447 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -61.11 -49.01 79.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.306 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.91 -43.23 93.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.0 110.268 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.69 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -39.6 86.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.554 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -62.26 -41.57 98.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.162 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -66.11 -37.61 86.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.312 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.766 ' HB1' ' CZ ' ' A' ' 59' ' ' TYR . . . . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 120.66 0.267 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 11' ' ' ALA . 60.9 m-85 -158.14 146.48 18.8 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.11 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.434 ' C ' ' OG1' ' A' ' 87' ' ' THR . 2.3 mt -108.48 129.08 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 120.863 0.363 . . . . 0.0 110.044 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.523 ' N ' ' OG1' ' A' ' 87' ' ' THR . 40.9 t80 -74.87 118.96 18.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.118 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.625 HD11 HD21 ' A' ' 57' ' ' LEU . 51.4 mt -118.45 112.19 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.85 174.61 19.78 Favored Glycine 0 N--CA 1.471 1.011 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 55.65 38.86 30.7 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.825 0.345 . . . . 0.0 110.71 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -104.12 157.85 16.84 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 110.244 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 78' ' ' GLY . 8.4 m-20 -83.34 137.65 33.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.466 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -65.34 -20.23 66.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.511 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.37 -30.55 70.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.363 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' LEU . 10.9 mp -69.01 130.84 43.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.472 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -99.65 179.8 4.43 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.36 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.99 -39.92 91.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.86 99.72 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 30' ' ' VAL . 99.1 m-20 -61.19 -44.12 97.79 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.859 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.43 -43.7 98.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.136 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.505 HD13 ' NH2' ' B' ' 318' ' ' ARG . 32.1 mt -62.9 -44.52 95.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.458 HG23 ' O ' ' B' ' 319' ' ' TRP . 99.3 m -62.52 -41.47 98.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.947 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 26' ' ' ASP . 79.6 t -64.36 -48.11 86.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.53 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -82.97 -12.36 57.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.601 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.5 p -43.16 -57.09 3.1 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.48 -38.44 74.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.172 0.51 . . . . 0.0 111.556 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CD1' ' OD1' ' A' ' 71' ' ' ASN . 23.5 m-85 -80.13 34.33 0.3 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.19 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.3 73.17 1.12 Allowed Glycine 0 N--CA 1.466 0.652 0 C-N-CA 119.994 -1.098 . . . . 0.0 111.358 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.9 p -52.24 108.98 1.21 Allowed Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 121.417 0.627 . . . . 0.0 110.792 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -60.67 156.01 45.06 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 123.2 2.6 . . . . 0.0 112.093 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.1 m -98.2 -10.49 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.371 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 54.6 t0 -158.43 139.55 13.17 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.768 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 42' ' ' LEU . 21.0 t -125.85 127.72 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 120.705 0.288 . . . . 0.0 110.395 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.3 mt -107.82 114.6 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.079 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 40' ' ' VAL . 4.4 mp -116.98 130.1 56.47 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.647 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -62.16 155.31 24.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.164 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 . . . . . 0 N--CA 1.47 0.544 0 CA-C-O 120.928 0.394 . . . . 0.0 110.938 -179.596 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.744 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -158.49 161.14 37.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.614 0.245 . . . . 0.0 110.901 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.447 ' O ' ' CD1' ' A' ' 56' ' ' TYR . . . -152.84 154.99 36.25 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.683 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.447 ' CD1' ' O ' ' A' ' 55' ' ' ALA . 10.9 m-85 -136.07 135.89 39.74 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.739 0.304 . . . . 0.0 110.691 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -133.56 144.19 49.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -91.84 127.81 37.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.766 ' CZ ' ' HB1' ' A' ' 11' ' ' ALA . 17.3 p90 -96.82 153.88 17.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.744 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.61 -40.81 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 67.3 m-20 -124.75 150.06 46.65 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.145 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -65.42 -34.33 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -58.2 -20.87 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.405 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.3 t -60.97 -40.75 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.869 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 69' ' ' VAL . 70.3 p -60.56 -42.32 96.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.707 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.16 -44.24 97.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.209 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.588 ' CD1' HD12 ' B' ' 313' ' ' ILE . 19.5 mt -65.13 -62.91 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.279 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.77 -40.9 42.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 65' ' ' THR . 52.9 t -61.97 -67.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.549 -0.461 . . . . 0.0 111.284 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.6 -22.26 66.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.968 0.413 . . . . 0.0 111.892 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.453 ' OD1' ' CD1' ' A' ' 34' ' ' TYR . 5.3 m120 -76.91 -48.62 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.55 18.9 19.84 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.867 0.365 . . . . 0.0 111.732 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.9 t30 -77.65 110.65 12.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.61 0.46 79.0 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -78.99 133.36 36.84 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.661 0.267 . . . . 0.0 110.342 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -94.18 133.55 37.57 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.545 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.8 mt -142.01 125.29 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . 73.32 15.66 78.87 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.42 -5.85 84.25 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -118.92 134.24 55.3 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.87 113.56 22.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.698 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -72.39 152.18 42.18 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.063 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -114.87 114.53 25.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 mm -98.37 123.69 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.843 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -154.34 156.61 37.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.303 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -63.21 133.0 53.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.245 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.523 ' OG1' ' N ' ' A' ' 14' ' ' TYR . 11.2 m -89.05 127.06 35.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.072 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -102.12 -10.86 19.29 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.33 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.658 179.844 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.455 ' CD2' HD21 ' A' ' 67' ' ' LEU . 91.8 m-85 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -104.32 45.13 0.98 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . 0.588 HD12 ' CD1' ' A' ' 67' ' ' LEU . 95.8 mt -99.99 120.14 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 120.936 0.398 . . . . 0.0 110.538 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . 0.459 ' N ' ' SD ' ' B' ' 314' ' ' MET . 2.8 mpp? -90.97 151.89 43.78 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.215 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.79 150.79 68.52 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.959 2.439 . . . . 0.0 112.335 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -103.25 176.9 24.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 95.4 p -66.55 -28.1 68.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.974 0.416 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . 0.505 ' NH2' HD13 ' A' ' 28' ' ' LEU . 36.6 ttt180 -62.31 -18.99 62.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.76 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.585 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.0 t90 -60.28 -16.6 35.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.165 0.507 . . . . 0.0 111.182 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 35.7 t0 64.27 -31.96 0.13 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.194 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 106.9 10.64 27.96 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.18 135.1 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -69.96 143.28 52.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.705 ' NE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -138.94 152.48 47.75 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.197 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 120.767 0.318 . . . . 0.0 110.439 179.481 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.518 ' CE1' ' OE2' ' B' ' 329' ' ' GLU . 47.1 p90 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 120.766 0.317 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.518 ' OE2' ' CE1' ' B' ' 328' ' ' PHE . 40.6 mp0 -58.85 -20.43 50.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.102 0.477 . . . . 0.0 110.553 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -51.24 -22.13 2.51 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.29 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.2 OUTLIER -51.97 -61.59 2.16 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.7 0.286 . . . . 0.0 111.555 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . 0.401 ' H ' ' HG3' ' B' ' 331' ' ' LYS . 33.2 p-90 -79.93 -23.34 41.8 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.187 0.518 . . . . 0.0 111.093 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.73 -29.83 61.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.51 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.48 94.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.455 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.87 -45.09 75.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.142 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -67.1 -19.96 65.72 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.414 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -83.57 -43.13 16.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.733 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 -179.874 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.736 0.303 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -118.52 151.35 38.01 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.791 0.329 . . . . 0.0 110.761 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.424 ' CD1' HG22 ' A' ' 65' ' ' THR . 1.6 mt -106.61 124.27 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -85.74 128.72 34.87 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.627 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -124.03 130.67 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.28 174.85 22.3 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 54.95 37.9 29.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.918 0.39 . . . . 0.0 110.496 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.781 HD23 ' H ' ' A' ' 18' ' ' LEU . 2.0 pt? -88.9 147.02 24.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.318 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -63.69 141.83 58.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.744 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -61.28 -30.54 70.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.446 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.59 -32.11 65.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.78 117.32 3.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.524 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 26' ' ' ASP . 6.6 t -104.51 -176.96 3.23 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 110.317 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' OE2' HD11 ' A' ' 28' ' ' LEU . 15.8 tm-20 -61.13 -39.83 91.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.575 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -40.79 96.26 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 23' ' ' THR . 99.1 m-20 -62.01 -40.04 94.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.0 -45.29 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD11 ' OE2' ' A' ' 24' ' ' GLU . 13.0 mt -55.26 -47.67 75.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.605 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.5 m -61.77 -43.13 99.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.956 0.408 . . . . 0.0 111.253 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' ASP . 76.3 t -62.31 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -85.5 -13.14 49.98 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.507 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' LEU . 87.8 p -43.81 -62.32 1.15 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HB3' HH11 ' B' ' 324' ' ' ARG . 16.3 tm-20 -72.87 -33.83 66.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.174 0.512 . . . . 0.0 111.305 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -86.68 35.12 0.66 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.159 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.64 70.58 0.91 Allowed Glycine 0 CA--C 1.523 0.582 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.903 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.7 p -55.7 121.27 38.24 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.348 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.54 157.27 44.8 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 122.975 2.45 . . . . 0.0 112.111 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 38' ' ' VAL . 19.2 m -92.46 -24.3 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.849 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -169.2 153.12 5.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.543 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 m -137.64 149.28 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.102 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -110.61 119.81 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.724 0.297 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -112.68 99.27 7.81 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.5 m -80.52 136.65 36.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.9 ttt-85 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.284 179.669 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -89.36 141.39 28.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.941 0.401 . . . . 0.0 110.384 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.36 155.54 41.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -112.26 123.49 50.4 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.89 0.376 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.414 HD23 HD12 ' A' ' 13' ' ' ILE . 1.3 tp -95.72 138.13 33.8 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.7 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -127.54 106.97 9.54 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.776 0.322 . . . . 0.0 111.032 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.553 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 7.0 t80 -117.72 142.88 46.75 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.266 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 15.2 tm-20 -55.25 -52.41 63.48 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.458 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -86.14 112.61 21.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 0.0 110.492 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -78.13 -20.05 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -68.96 -34.75 75.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.009 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.2 t -58.36 -38.7 77.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.952 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 69' ' ' VAL . 23.8 p -48.21 -26.98 2.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.577 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.0 mt -60.27 -47.9 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.312 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.688 HD21 ' CD1' ' B' ' 311' ' ' PHE . 5.0 mp -66.8 -45.74 77.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.062 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.87 78.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.949 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 98.8 t -65.05 -53.68 38.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.157 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -64.81 -14.93 60.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.737 0.304 . . . . 0.0 111.685 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 24.5 m120 -105.54 -22.67 12.95 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.6 mt -113.36 -7.59 13.48 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.923 0.392 . . . . 0.0 111.315 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 28.9 t-20 -76.19 113.58 13.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 110.432 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.25 3.75 89.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -80.11 123.43 27.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.466 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -72.81 121.81 20.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.12 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 77' ' ' ILE . 14.7 tt -139.45 125.94 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.37 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.03 17.81 75.9 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.82 3.62 80.03 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -125.88 153.15 44.59 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.045 0.45 . . . . 0.0 110.487 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.51 144.24 30.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 mt -88.8 140.58 29.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.869 0.366 . . . . 0.0 110.694 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -131.06 113.92 14.53 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.441 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 50.0 mt -134.94 142.26 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.578 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 84' ' ' ILE . 80.4 m-20 -147.11 157.12 43.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.961 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.19 132.13 35.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.985 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.7 t -137.72 140.37 40.67 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.055 0.455 . . . . 0.0 110.329 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -98.81 15.26 25.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.2 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.08 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.688 ' CD1' HD21 ' A' ' 67' ' ' LEU . 60.3 m-85 . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 120.806 0.336 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -135.47 48.81 2.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 87.6 mt -97.06 118.68 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.437 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.3 mpt? -89.39 148.72 41.15 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.222 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.62 161.17 47.0 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.991 2.461 . . . . 0.0 112.283 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -117.0 168.21 12.76 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 95.2 p -63.7 -35.59 81.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -59.41 -12.06 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.572 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.0 t90 -60.38 -11.65 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.225 0.536 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 55.95 -1.06 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.929 0.395 . . . . 0.0 111.174 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 75.84 10.76 84.96 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.519 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 53.1 t -65.61 139.62 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.672 0.272 . . . . 0.0 110.294 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -79.0 111.83 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.226 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.587 ' O ' ' NE ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -138.52 114.52 10.09 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 94.3 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.313 . . . . 0.0 110.606 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 84.3 t80 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.786 0.327 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.88 -21.33 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.783 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -59.37 -49.56 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.718 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -70.0 -27.79 64.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.647 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . 0.594 ' CZ3' ' NE2' ' B' ' 336' ' ' GLN . 48.1 t90 -61.71 -48.66 79.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.426 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . 0.448 ' HA ' HE21 ' B' ' 336' ' ' GLN . 8.2 m-85 -67.53 -38.09 83.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.233 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.34 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.431 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -63.46 -41.72 98.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.623 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . 0.594 ' NE2' ' CZ3' ' B' ' 332' ' ' TRP . 35.1 mt-30 -59.8 -41.45 91.23 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.338 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -62.97 -40.03 96.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.268 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.677 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.623 0.249 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -120.71 158.54 27.26 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.827 0.346 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -102.18 122.03 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -84.41 126.24 33.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.293 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 1.011 HD11 HD12 ' A' ' 57' ' ' LEU . 83.2 mt -118.89 121.71 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.29 167.47 23.43 Favored Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 61.44 41.48 12.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.003 0.43 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.49 143.16 26.65 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.175 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.42 ' HB3' HD13 ' A' ' 22' ' ' LEU . 49.9 t30 -65.42 138.34 58.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.372 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -61.05 -21.17 63.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -77.53 -28.43 51.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.545 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 19' ' ' ASN . 3.5 mp -65.92 117.67 8.63 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.328 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.1 p -96.64 173.68 7.21 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.385 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -60.08 -42.66 95.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.349 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.03 -40.12 98.49 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.3 m-20 -62.51 -40.68 97.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.886 0.374 . . . . 0.0 110.579 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.42 -41.63 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.155 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.79 -42.84 94.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.074 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.403 HG23 ' O ' ' B' ' 319' ' ' TRP . 29.4 m -63.62 -42.86 98.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.934 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' ASP . 87.6 t -65.33 -49.61 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -74.83 -14.22 60.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.231 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -43.77 -57.06 3.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.78 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.9 -39.79 69.32 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.218 0.532 . . . . 0.0 111.604 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' OH ' ' NE ' ' B' ' 324' ' ' ARG . 28.0 m-85 -79.49 33.7 0.25 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.002 -178.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.89 73.47 1.06 Allowed Glycine 0 C--N 1.341 0.84 0 C-N-CA 119.872 -1.156 . . . . 0.0 112.353 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.9 p -55.39 114.09 6.66 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-O 121.429 0.633 . . . . 0.0 109.88 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.79 159.97 41.37 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 123.577 2.851 . . . . 0.0 112.883 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.88 -14.53 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.37 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -158.94 147.94 18.61 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 t -137.4 128.4 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.466 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -114.95 115.89 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.902 0.382 . . . . 0.0 110.67 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.37 105.19 6.81 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.494 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -66.59 141.35 57.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.414 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 . . . . . 0 N--CA 1.463 0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.696 179.778 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.098 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -138.33 155.25 48.74 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.782 0.325 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.34 158.46 34.36 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.649 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -115.85 145.27 43.0 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.7 0.286 . . . . 0.0 110.41 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.011 HD12 HD11 ' A' ' 15' ' ' ILE . 2.3 mt -121.77 147.93 45.3 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.424 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -129.46 107.94 9.88 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 120.864 0.364 . . . . 0.0 111.194 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.614 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 81.9 t80 -109.25 175.26 5.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.931 0.396 . . . . 0.0 110.007 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.614 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 99.6 mt-10 -75.09 -59.08 2.9 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -110.38 126.69 54.53 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.9 0.381 . . . . 0.0 111.073 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -55.36 -18.81 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.531 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -60.45 -35.47 75.93 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.448 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 94.2 p -61.66 -22.97 65.76 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.258 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' HG22 ' A' ' 69' ' ' VAL . 51.1 p -60.52 -26.55 66.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.35 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.94 -38.36 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.334 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.621 HD21 ' CD1' ' B' ' 311' ' ' PHE . 40.1 mt -68.59 -43.1 77.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.442 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.08 -51.09 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.933 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.633 HG23 ' N ' ' A' ' 70' ' ' ASP . 20.6 m -66.42 -51.3 59.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 111.801 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.633 ' N ' HG23 ' A' ' 69' ' ' VAL . 42.8 t0 -56.71 -12.49 1.89 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -116.47 -52.46 2.57 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.7 mm? -79.24 -10.36 59.8 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -74.45 109.86 8.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.908 0.385 . . . . 0.0 110.075 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.19 3.64 78.79 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' B' ' 325' ' ' SER . 35.9 t80 -78.48 128.28 33.35 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.4 126.81 32.08 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.163 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.41 HD12 HD13 ' A' ' 82' ' ' LEU . 30.4 mt -140.06 113.35 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.143 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.76 21.91 78.81 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.66 -10.87 73.63 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -112.78 147.65 36.45 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 122.554 -0.38 . . . . 0.0 110.329 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.48 139.92 32.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.611 0.243 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 77' ' ' ILE . 9.7 mp -81.48 145.24 30.83 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.45 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -123.27 100.7 6.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.737 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.529 ' CG2' HG12 ' A' ' 69' ' ' VAL . 4.4 mm -96.29 141.55 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.237 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -156.99 151.78 25.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.634 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -78.55 142.78 37.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.757 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.7 t -153.41 142.05 20.91 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.139 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.9 27.01 2.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.073 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.7 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.292 -179.588 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.621 ' CD1' HD21 ' A' ' 67' ' ' LEU . 7.7 m-85 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -109.0 22.71 15.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.183 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . 0.542 HD12 ' CD1' ' A' ' 67' ' ' LEU . 77.6 mt -86.98 115.74 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 13.2 mmt -81.59 149.98 65.64 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.721 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.53 154.2 68.98 Favored 'Trans proline' 0 N--CA 1.502 2.003 0 C-N-CA 123.087 2.525 . . . . 0.0 112.097 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -111.93 172.49 14.88 Favored Glycine 0 N--CA 1.469 0.842 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 74.9 m -61.97 -28.7 69.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.896 0.379 . . . . 0.0 110.483 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -57.53 -27.6 62.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.568 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.6 t90 -59.68 -21.58 60.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.094 0.473 . . . . 0.0 111.295 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 58.12 -4.93 0.05 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 77.34 20.71 74.51 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.36 150.48 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.664 0.269 . . . . 0.0 110.375 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -69.16 128.61 37.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.401 ' NE ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -140.36 135.59 32.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.746 0.308 . . . . 0.0 110.443 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . 0.442 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 51.0 m . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.649 0.261 . . . . 0.0 110.849 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 49.8 p90 . . . . . 0 C--O 1.228 -0.036 0 CA-C-O 120.684 0.278 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.79 -24.21 56.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.86 0.362 . . . . 0.0 110.766 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.89 -19.07 26.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.419 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -54.36 -27.51 36.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -60.89 -46.03 92.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.18 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -66.26 -39.8 89.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.445 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.15 98.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -63.43 -44.71 93.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.44 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -64.5 -38.0 89.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.437 . . . . 0.0 110.944 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -69.32 -42.35 75.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.221 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.974 0.416 . . . . 0.0 111.739 -179.616 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.893 0.378 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -133.88 141.5 47.4 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.536 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.43 144.75 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.303 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -95.52 113.11 24.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.054 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.3 mt -104.15 123.82 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.527 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.13 -177.54 15.07 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 61.36 29.14 18.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.565 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -102.24 140.28 36.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.216 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -68.96 135.67 51.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -56.47 -20.79 21.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.436 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.77 -31.77 73.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.564 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.91 126.47 27.43 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.2 p -97.66 174.36 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.476 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.74 -43.35 94.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.346 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.71 -39.3 97.36 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.57 -43.58 97.13 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 110.753 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.67 -43.87 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.247 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' ' OG ' ' A' ' 32' ' ' SER . 7.8 mt -57.13 -48.12 79.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.784 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.1 m -61.57 -41.77 97.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.043 0.449 . . . . 0.0 110.575 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.94 -45.66 97.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.03 -13.28 44.89 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 27.0 m -51.24 -54.56 24.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.847 0.356 . . . . 0.0 111.906 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.52 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 83.5 tt0 -62.41 -19.52 63.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CZ ' ' OD1' ' A' ' 71' ' ' ASN . 48.7 m-85 -107.94 33.57 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.42 74.98 1.21 Allowed Glycine 0 C--N 1.341 0.846 0 C-N-CA 120.304 -0.951 . . . . 0.0 111.708 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.5 p -51.87 112.71 3.43 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-O 121.361 0.6 . . . . 0.0 110.649 -177.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HG2' HD11 ' A' ' 57' ' ' LEU . 33.7 Cg_exo -55.33 160.15 9.2 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 123.225 2.616 . . . . 0.0 111.868 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.1 m -90.82 -25.04 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.592 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -169.24 151.33 4.59 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.6 146.22 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.235 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.1 mt -105.46 117.6 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.325 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -110.33 98.95 8.06 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.468 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.6 m -78.43 146.73 34.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.675 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.584 179.6 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.75 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -83.62 148.81 26.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.758 0.313 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.62 153.32 29.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -105.99 120.99 43.19 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.069 0.462 . . . . 0.0 110.11 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.618 HD23 ' C ' ' A' ' 57' ' ' LEU . 9.6 tt -100.14 122.08 42.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.51 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -91.13 121.67 33.11 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.724 0.297 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.417 ' CD2' HG22 ' A' ' 65' ' ' THR . 0.4 OUTLIER -100.52 135.21 42.31 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.782 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.31 -43.18 98.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.445 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -126.35 138.66 53.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.71 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.02 -35.56 81.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.9 -37.59 79.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.788 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -62.38 -36.57 82.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.98 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 69' ' ' VAL . 38.7 p -55.09 -30.98 60.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.348 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.44 -44.65 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.639 HD21 ' CD1' ' B' ' 311' ' ' PHE . 32.3 mt -59.79 -51.09 71.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.233 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.63 -47.78 77.27 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.075 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 75.7 t -63.64 -52.55 56.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.175 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.82 -29.85 70.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.906 0.384 . . . . 0.0 111.824 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.558 ' OD1' ' CZ ' ' A' ' 34' ' ' TYR . 23.4 t-20 -84.54 -48.91 9.08 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.443 HD12 HD22 ' A' ' 82' ' ' LEU . 4.4 mm? -77.35 -28.87 53.17 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.828 0.347 . . . . 0.0 111.478 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 51.7 t30 -68.7 116.07 8.78 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.933 0.397 . . . . 0.0 110.465 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.59 -0.65 63.36 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.4 ' CD2' HG13 ' A' ' 77' ' ' ILE . 34.3 t80 -94.2 127.25 39.93 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.794 0.331 . . . . 0.0 110.277 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -83.46 123.3 29.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.4 HG13 ' CD2' ' A' ' 75' ' ' PHE . 22.4 mt -133.3 119.29 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.408 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.45 15.28 81.14 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.72 7.88 64.29 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -141.97 151.9 42.96 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.65 0.262 . . . . 0.0 110.775 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.46 146.85 24.97 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.032 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.443 HD22 HD12 ' A' ' 72' ' ' LEU . 6.0 mp -78.16 156.47 29.85 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.548 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -127.06 101.87 6.73 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 mt -121.78 147.12 25.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.319 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -157.47 164.45 37.42 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -88.54 119.77 29.31 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.676 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.759 HG23 ' H ' ' A' ' 89' ' ' TYR . 14.9 t -109.14 -21.21 12.7 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.822 0.344 . . . . 0.0 110.577 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 42.38 31.19 0.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.653 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.759 ' H ' HG23 ' A' ' 87' ' ' THR . 36.1 t80 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.63 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.639 ' CD1' HD21 ' A' ' 67' ' ' LEU . 15.6 m-85 . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 120.978 0.418 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -111.04 25.08 12.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 67' ' ' LEU . 88.7 mt -99.46 119.75 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.885 0.374 . . . . 0.0 110.526 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.86 149.58 60.07 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.201 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.63 156.02 64.8 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 123.265 2.644 . . . . 0.0 112.002 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -102.38 163.27 16.7 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . 0.545 ' C ' ' H ' ' B' ' 319' ' ' TRP . 96.6 p -65.32 -31.81 73.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.013 0.435 . . . . 0.0 110.679 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 318' ' ' ARG . 17.0 ttp180 -66.0 9.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.519 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.639 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.0 t90 -81.71 -5.28 57.97 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.139 0.495 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 32.5 t0 63.37 -24.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.639 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 90.86 12.54 60.39 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.548 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 30.1 m -71.97 151.68 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 110.429 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -82.2 109.96 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.141 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -129.53 109.41 11.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 109.985 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.0 t80 . . . . . 0 C--O 1.223 -0.293 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.532 ' HG3' ' HE1' ' B' ' 332' ' ' TRP . 72.7 tt0 -70.83 -30.9 67.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.107 0.479 . . . . 0.0 110.398 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -65.67 -23.64 66.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.834 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 8.3 ptmm? -48.37 -48.45 36.63 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.339 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . 0.589 ' CZ2' ' CD2' ' B' ' 333' ' ' PHE . 61.6 p-90 -87.24 -36.7 17.8 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.143 0.497 . . . . 0.0 110.935 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . 0.589 ' CD2' ' CZ2' ' B' ' 332' ' ' TRP . 0.1 OUTLIER -60.07 -36.3 77.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' B' ' 338' ' ' GLU . . . -61.4 -46.94 88.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.286 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -66.12 -34.29 77.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.687 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.91 -43.24 99.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.108 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.37 -41.59 98.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.418 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' B' ' 338' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.662 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.75 0.31 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -122.04 145.15 48.43 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.511 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.418 HD12 HD23 ' A' ' 57' ' ' LEU . 1.4 mt -97.83 116.01 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -79.11 118.53 21.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.412 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.7 mt -108.77 121.09 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.586 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.03 -178.32 15.35 Favored Glycine 0 N--CA 1.469 0.839 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 55.43 37.39 28.82 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.767 0.317 . . . . 0.0 110.674 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -104.45 144.36 31.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.395 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 59.6 t-20 -81.45 140.3 34.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.603 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 8.1 ptp180 -60.65 -17.62 48.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.643 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.17 -14.51 63.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -87.86 132.81 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.43 -175.44 2.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 110.313 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -62.8 -40.52 97.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.351 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.4 -42.34 99.12 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.7 m-20 -61.72 -44.3 97.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.665 0.269 . . . . 0.0 110.676 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.63 -44.6 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' SER . 22.7 mt -58.23 -47.31 83.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.625 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.669 HG23 ' O ' ' B' ' 319' ' ' TRP . 55.2 m -61.11 -42.97 99.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.004 0.43 . . . . 0.0 111.216 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 26' ' ' ASP . 57.3 t -59.8 -47.87 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.025 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 72' ' ' LEU . 41.6 m-85 -87.3 -13.87 42.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 0.0 111.549 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 28' ' ' LEU . 19.6 t -45.91 -58.43 3.55 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -66.49 -12.01 55.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.118 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.617 ' CE2' ' ND2' ' A' ' 71' ' ' ASN . 53.0 m-85 -113.34 33.01 5.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' C ' ' CE1' ' A' ' 59' ' ' TYR . . . 100.88 71.94 0.96 Allowed Glycine 0 C--N 1.341 0.821 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.68 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.1 p -53.95 110.41 2.06 Favored Pre-proline 0 CA--C 1.543 0.685 0 CA-C-O 121.356 0.598 . . . . 0.0 110.529 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.05 151.28 51.17 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 123.159 2.573 . . . . 0.0 112.141 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.444 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 15.8 m -92.18 -20.99 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.026 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 38' ' ' VAL . 41.8 m-20 -158.19 127.53 5.77 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.517 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -112.43 127.46 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.406 HD12 ' OH ' ' A' ' 89' ' ' TYR . 80.6 mt -101.58 119.1 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.022 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.36 130.03 56.67 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.227 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -81.0 136.4 35.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.432 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -134.25 153.58 51.78 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.853 0.359 . . . . 0.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.57 160.18 42.38 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.599 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.14 140.1 44.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.494 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 13' ' ' ILE . 2.2 tp -111.62 139.89 46.69 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.018 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -131.04 114.46 15.2 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.414 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CE1' ' C ' ' A' ' 35' ' ' GLY . 69.9 t80 -112.49 166.01 11.71 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.97 0.414 . . . . 0.0 110.121 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 60.8 mm-40 -62.7 -48.18 80.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.937 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -113.33 116.81 30.29 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.931 0.396 . . . . 0.0 111.455 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 65' ' ' THR . 24.2 pt20 -56.41 -19.49 15.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 110.68 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -63.79 -36.01 82.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -60.82 -21.83 63.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.774 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 69' ' ' VAL . 38.9 p -59.06 -34.08 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.992 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.35 -43.32 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.411 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.16 -47.68 84.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.82 90.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.964 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 65' ' ' THR . 42.7 t -56.81 -67.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.423 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -56.67 -42.74 79.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.952 0.405 . . . . 0.0 111.986 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.617 ' ND2' ' CE2' ' A' ' 34' ' ' TYR . 34.3 t30 -63.27 -45.62 90.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 84.2 mt -90.94 -16.78 27.49 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 36.2 t30 -74.4 117.04 15.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.576 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.43 6.66 68.1 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -99.67 125.93 45.6 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 110.309 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -84.96 124.73 32.01 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 79' ' ' GLY . 71.0 mt -133.24 127.88 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.2 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.32 -39.14 1.43 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 77' ' ' ILE . . . 156.25 -8.71 0.27 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -127.1 152.85 46.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.711 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.48 131.19 35.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.67 135.78 56.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.64 100.71 9.45 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.352 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mm -98.93 127.34 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -145.32 152.41 39.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -82.96 136.55 34.5 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.684 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.1 t -149.22 159.2 44.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.677 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -139.9 36.86 1.97 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.74 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.406 ' OH ' HD12 ' A' ' 41' ' ' ILE . 6.9 p90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.387 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.696 0.284 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -92.98 71.47 4.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.441 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.6 mt -71.7 125.82 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . 0.599 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.6 pmm? -72.0 157.38 89.58 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.233 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.84 152.09 80.66 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.991 2.461 . . . . 0.0 112.275 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -104.33 164.42 14.87 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . 0.491 ' C ' ' H ' ' B' ' 319' ' ' TRP . 42.5 t -62.44 -43.31 99.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.928 0.394 . . . . 0.0 110.791 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -65.88 6.04 0.41 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.669 ' O ' HG23 ' A' ' 29' ' ' THR . 23.0 t90 -68.51 -21.57 64.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.241 0.543 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 22.5 t0 67.23 -33.5 0.21 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.7 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 109.61 12.73 18.36 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.531 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 83.9 t -86.62 123.64 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.172 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . 0.789 ' CD2' ' H ' ' B' ' 323' ' ' HIS . 0.1 OUTLIER -82.4 124.43 30.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.344 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -139.29 107.32 5.71 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.752 0.31 . . . . 0.0 110.226 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 87.0 p . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.582 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.0 t80 . . . . . 0 C--O 1.226 -0.148 0 CA-C-O 121.033 0.444 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 47.2 mt-10 -58.09 -20.4 39.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.392 0.615 . . . . 0.0 111.052 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -54.58 -20.31 7.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.701 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.475 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.0 OUTLIER -56.35 -62.8 1.47 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.419 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' B' ' 329' ' ' GLU . 49.0 p-90 -70.12 -26.19 63.84 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 110.593 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -74.59 -40.3 61.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.184 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.05 96.65 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -65.77 -38.97 90.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.638 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -61.03 -43.02 99.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.342 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -76.05 -26.48 56.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.179 0.514 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 . . . . . 0 C--N 1.322 -0.613 0 CA-C-O 120.992 0.425 . . . . 0.0 111.033 -179.668 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -123.72 138.09 54.58 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.755 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.5 pt -130.2 154.66 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.945 0.402 . . . . 0.0 110.318 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -94.89 125.95 39.89 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.725 HD11 HD11 ' A' ' 57' ' ' LEU . 58.3 mt -120.49 103.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.05 177.18 16.38 Favored Glycine 0 N--CA 1.47 0.964 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.456 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 28.0 t-20 61.05 42.23 12.81 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.844 0.354 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.404 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -105.2 157.49 17.25 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.183 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -82.6 138.98 34.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.258 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -59.61 -24.58 63.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -62.08 -28.48 69.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.633 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.3 mp -72.29 127.14 31.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -107.02 -171.87 1.97 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.54 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.9 -42.28 93.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.02 98.71 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 30' ' ' VAL . 96.5 m-20 -62.56 -44.42 96.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.844 0.355 . . . . 0.0 110.774 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.59 -45.46 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 32' ' ' SER . 25.0 mt -61.33 -47.33 86.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.539 HG23 ' O ' ' B' ' 319' ' ' TRP . 17.1 m -61.97 -40.89 97.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 0.0 111.108 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 26' ' ' ASP . 73.3 t -61.88 -50.62 79.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.738 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -87.5 -15.44 37.57 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.106 0.479 . . . . 0.0 111.751 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.0 t -45.94 -55.62 6.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.75 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.504 ' OE1' ' CE2' ' B' ' 319' ' ' TRP . 24.4 pt-20 -64.1 -11.86 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -112.77 33.99 4.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.4 69.89 0.99 Allowed Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.022 -1.085 . . . . 0.0 111.362 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 36' ' ' VAL . 4.7 p -55.54 127.93 67.23 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.922 -177.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.6 161.84 41.19 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 123.569 2.846 . . . . 0.0 111.756 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.425 ' H ' HG22 ' A' ' 38' ' ' VAL . 15.7 m -88.81 -13.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.715 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -168.72 148.46 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.789 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 40' ' ' VAL . 5.1 m -123.32 130.09 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -94.76 112.32 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.538 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mp -115.89 96.26 5.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.503 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.4 t -74.39 132.77 42.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.125 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.8 mtt-85 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 120.824 0.345 . . . . 0.0 110.92 -179.709 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -151.74 151.3 31.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.717 0.294 . . . . 0.0 110.612 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.65 163.1 35.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.739 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -136.72 122.21 19.55 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.839 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.884 HD12 ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -106.11 138.35 42.45 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.764 0.316 . . . . 0.0 110.307 -179.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -84.27 105.14 14.89 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.77 138.29 37.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.59 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 36' ' ' VAL . 45.7 mp0 -70.49 -43.24 70.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.35 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -119.25 124.91 47.88 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.117 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.56 -34.59 77.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.504 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' N ' ' CD ' ' A' ' 63' ' ' ARG . 11.6 mpt_? -59.18 -33.06 70.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.313 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.1 t -59.56 -37.87 79.6 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.755 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.7 p -57.2 -33.57 67.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.683 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.06 -40.36 88.73 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 CA-C-O 120.987 0.422 . . . . 0.0 110.419 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' B' ' 311' ' ' PHE . 44.1 mt -69.5 -38.34 77.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.939 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.72 87.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.026 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG23 ' N ' ' A' ' 70' ' ' ASP . 25.7 m -74.7 -42.76 47.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 121.238 0.542 . . . . 0.0 111.058 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.516 ' N ' HG23 ' A' ' 69' ' ' VAL . 98.3 m-20 -59.08 -15.99 16.83 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.619 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -116.63 -49.07 2.66 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -78.75 -21.93 47.22 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 64.7 t30 -68.69 118.51 11.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.0 0.429 . . . . 0.0 110.523 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.58 10.34 67.74 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -104.14 117.28 33.88 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -67.61 125.89 27.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.771 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.2 tt -137.09 131.86 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.611 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.39 23.97 73.56 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.91 0.56 90.32 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.29 150.57 47.88 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.864 0.364 . . . . 0.0 110.655 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.05 120.02 33.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.591 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.63 151.82 34.16 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.486 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -110.39 115.81 30.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.441 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.502 ' CG2' HG12 ' A' ' 69' ' ' VAL . 1.3 mm -106.57 128.32 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.138 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 43.7 t0 -156.54 145.46 20.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.722 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.484 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 20.8 m170 -70.49 141.61 51.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.166 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 87' ' ' THR . 10.0 t -129.81 126.27 37.68 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.754 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -76.22 7.42 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.383 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 -179.862 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.183 0 CA-C-O 120.893 0.378 . . . . 0.0 110.085 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -137.65 70.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.365 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 83.3 mt -93.78 128.37 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.717 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 25.8 mmt -83.78 147.97 53.2 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.66 154.74 59.52 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 123.195 2.597 . . . . 0.0 112.14 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -99.44 173.89 26.58 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 69.0 m -68.78 -28.9 67.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.367 . . . . 0.0 110.642 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -58.93 -16.78 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.709 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.539 ' O ' HG23 ' A' ' 29' ' ' THR . 20.9 t90 -60.07 -25.25 65.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.107 0.479 . . . . 0.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 24.0 t0 65.79 -11.47 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 80.93 13.68 80.82 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.452 ' CG1' HG22 ' A' ' 29' ' ' THR . 9.6 p -53.96 151.88 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 120.677 0.275 . . . . 0.0 110.815 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.86 106.2 3.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.958 0.408 . . . . 0.0 110.677 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -137.97 149.66 46.33 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.527 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 99.0 p . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.899 179.675 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 37.2 t80 . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.768 0.318 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -56.64 -19.6 17.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -48.21 -34.88 10.84 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.447 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -28.74 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.275 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . 0.64 ' CH2' ' NE2' ' B' ' 336' ' ' GLN . 18.1 t90 -62.61 -44.78 95.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.134 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.27 -39.36 86.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.247 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.693 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.85 -42.37 99.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.51 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . 0.64 ' NE2' ' CH2' ' B' ' 332' ' ' TRP . 87.1 mt-30 -61.87 -43.23 99.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -65.75 -39.99 91.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.786 -179.445 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 12' ' ' TYR . . . . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.829 0.347 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' A' ' 11' ' ' ALA . 15.0 m-85 -158.4 136.0 10.32 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -118.44 130.08 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.761 0.315 . . . . 0.0 110.16 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -88.22 127.97 35.45 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.816 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.8 mt -121.27 108.55 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.138 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.98 174.39 15.55 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 57.4 40.03 27.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.761 0.315 . . . . 0.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.9 155.03 18.95 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.371 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -80.81 128.63 33.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.327 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -61.05 -22.58 64.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.37 -27.61 68.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.3 mp -77.99 128.93 34.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.2 p -96.04 -178.25 4.28 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -61.96 -42.18 98.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.409 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.32 -42.08 99.68 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -63.77 -47.27 81.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.759 0.314 . . . . 0.0 110.707 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.28 -43.26 97.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.584 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' SER . 18.2 mt -55.73 -45.94 77.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.401 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.604 HG23 ' O ' ' B' ' 319' ' ' TRP . 84.4 m -62.61 -40.74 97.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.412 . . . . 0.0 111.104 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.09 -48.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -86.8 -14.82 41.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.391 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LEU . 14.3 t -47.73 -57.53 5.44 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 34' ' ' TYR . 20.8 pt-20 -66.62 -11.77 55.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.496 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.672 ' CZ ' ' ND2' ' A' ' 71' ' ' ASN . 20.3 m-85 -114.04 33.62 5.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.33 70.51 0.89 Allowed Glycine 0 C--N 1.341 0.816 0 C-N-CA 120.147 -1.025 . . . . 0.0 111.631 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.3 p -56.9 122.52 53.17 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-O 120.987 0.422 . . . . 0.0 110.635 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.16 159.11 44.64 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 123.013 2.475 . . . . 0.0 112.38 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.4 m -98.53 -12.64 8.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.135 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -159.64 133.59 7.4 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 t -126.79 127.6 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -93.39 120.3 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 120.872 0.368 . . . . 0.0 110.724 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 42' ' ' LEU . 4.0 mm? -100.35 97.79 8.51 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.99 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -76.2 154.78 35.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.721 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.576 179.6 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.902 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -142.32 148.92 38.77 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.719 0.295 . . . . 0.0 110.571 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.59 166.73 31.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.632 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -113.21 135.92 53.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.791 0.329 . . . . 0.0 110.623 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.35 133.51 50.93 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.193 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -114.75 110.05 19.13 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.697 0.284 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.522 ' CD2' ' OG ' ' A' ' 64' ' ' SER . 70.6 t80 -110.66 170.82 7.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.882 0.372 . . . . 0.0 110.084 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 39.2 tp10 -71.44 -56.68 5.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -109.82 122.56 47.79 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.944 0.402 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.402 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 13.9 pm0 -58.4 -14.93 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.275 0.56 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 mtm-85 -69.74 -26.0 64.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.522 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 92.7 p -67.61 -19.14 65.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.052 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 69' ' ' VAL . 76.6 p -60.36 -27.11 67.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.0 -39.01 79.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.373 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' B' ' 311' ' ' PHE . 13.1 mt -58.62 -63.45 1.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.499 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.0 89.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.986 0.422 . . . . 0.0 112.0 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 65' ' ' THR . 40.6 t -53.97 -53.67 26.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 59.8 p30 -87.61 -11.27 49.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.672 ' ND2' ' CZ ' ' A' ' 34' ' ' TYR . 17.6 t30 -94.05 -34.54 12.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.645 ' CD2' HD22 ' A' ' 71' ' ' ASN . 3.8 mm? -97.92 -27.92 14.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.678 0.275 . . . . 0.0 111.413 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -63.54 129.85 41.9 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.783 0.325 . . . . 0.0 110.534 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.34 3.17 67.42 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' B' ' 325' ' ' SER . 37.9 t80 -106.6 125.33 50.87 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 110.09 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -87.85 131.53 34.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.364 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.7 mt -131.64 126.34 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 120.797 0.332 . . . . 0.0 110.804 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.19 24.78 70.69 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.424 ' O ' ' CZ ' ' A' ' 80' ' ' ARG . . . 89.11 -10.53 72.63 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.424 ' CZ ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -125.66 146.48 49.71 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.423 -179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.58 126.68 45.61 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.663 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -73.04 150.97 41.93 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.899 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -110.85 123.91 51.04 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.48 113.32 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -131.2 143.94 50.97 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.844 0.354 . . . . 0.0 110.537 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' NE2' HG21 ' A' ' 69' ' ' VAL . 17.6 m-70 -74.52 144.3 44.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.373 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 p -117.64 176.65 5.08 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.259 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 70.3 t80 -159.69 31.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.62 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.0 p90 . . . . . 0 N--CA 1.467 0.378 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.344 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.421 ' CD1' HD21 ' A' ' 67' ' ' LEU . 75.5 m-85 . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.51 25.94 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 96.0 mt -97.04 117.55 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.4 mmt -92.96 146.83 32.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.9 138.84 41.68 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.775 2.317 . . . . 0.0 112.186 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -88.76 176.37 44.34 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 93.8 p -64.36 -23.77 67.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.69 -18.08 63.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' THR . 17.4 t90 -59.83 -20.59 57.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 30.7 t0 64.24 -27.61 0.09 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.422 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.595 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 110.02 10.59 22.27 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.574 ' C ' ' HE1' ' B' ' 319' ' ' TRP . 53.6 t -109.2 117.1 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-O 120.715 0.293 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -112.9 147.2 37.54 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.758 0.313 . . . . 0.0 110.736 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -98.45 127.76 44.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.106 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 75' ' ' PHE . 36.6 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.597 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 55.5 p90 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.746 0.308 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.55 -21.0 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.632 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -51.81 -18.78 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.629 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -54.01 -27.97 35.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -62.24 -50.62 71.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.393 . . . . 0.0 110.271 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -65.37 -38.13 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.055 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.8 95.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.77 -43.45 98.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.027 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -61.97 -42.26 98.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -70.88 -42.47 69.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 -179.84 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.669 0.271 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -122.08 148.96 44.22 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.918 0.389 . . . . 0.0 110.671 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 13' ' ' ILE . 2.0 mt -99.91 114.41 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -76.25 120.97 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.623 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.1 mt -116.82 120.95 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.167 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.77 -179.58 18.97 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.436 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 22.8 t-20 63.91 22.69 13.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.812 HD23 ' H ' ' A' ' 18' ' ' LEU . 2.0 pt? -102.19 151.26 22.41 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.124 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -73.95 135.38 43.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -60.79 -18.21 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.626 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -62.93 -31.98 73.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.84 123.66 18.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.08 0.467 . . . . 0.0 110.328 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -88.69 171.08 10.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.577 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.94 -40.2 94.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.183 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.23 98.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 30' ' ' VAL . 65.7 t0 -60.76 -46.41 90.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.712 0.292 . . . . 0.0 110.618 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.78 -43.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.246 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.4 -43.18 83.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.161 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.599 ' CG2' HH21 ' B' ' 324' ' ' ARG . 86.3 m -62.94 -39.92 96.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.407 . . . . 0.0 110.43 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.466 HG22 ' NH1' ' B' ' 324' ' ' ARG . 80.3 t -64.26 -47.93 87.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.489 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.446 ' CD2' HD22 ' A' ' 57' ' ' LEU . 50.3 m-85 -82.93 -13.63 55.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.889 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.4 p -45.03 -59.33 2.65 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.547 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 12.3 pt-20 -72.85 -27.36 61.88 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.263 0.554 . . . . 0.0 112.143 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -92.89 35.38 1.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.266 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.53 69.93 0.93 Allowed Glycine 0 C--N 1.341 0.827 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.543 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.3 p -55.84 120.61 34.42 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.784 -177.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -75.91 157.82 38.81 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 123.209 2.606 . . . . 0.0 112.569 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -93.67 -14.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.225 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 64.0 t0 -163.28 136.71 5.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.678 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.431 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 65.6 t -126.48 130.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.486 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.5 mt -108.34 126.28 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.778 0.323 . . . . 0.0 110.998 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.78 142.95 37.02 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.232 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -59.09 154.91 14.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.427 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.783 -179.502 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -144.09 153.99 42.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.727 0.299 . . . . 0.0 110.59 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.65 164.02 39.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.672 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.469 ' CD2' ' CD2' ' A' ' 89' ' ' TYR . 84.7 m-85 -126.75 141.23 51.89 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.446 HD22 ' CD2' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -112.84 140.27 47.77 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.945 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -130.38 109.39 10.7 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.243 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -115.12 158.2 22.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 120.811 0.338 . . . . 0.0 110.244 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.65 -43.56 93.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.454 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -103.16 143.6 32.4 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -88.25 -12.83 42.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.086 0.47 . . . . 0.0 110.363 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -68.06 -30.59 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.794 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.7 p -62.5 -22.89 66.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.972 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 69' ' ' VAL . 62.8 p -61.33 -37.52 83.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.4 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.09 -45.12 91.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.001 0.429 . . . . 0.0 110.577 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.625 HD11 ' CD1' ' B' ' 311' ' ' PHE . 17.6 mt -64.42 -53.42 48.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.752 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.26 -37.58 67.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.805 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 65' ' ' THR . 52.2 t -60.95 -69.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.214 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 57.0 t0 -59.27 -33.1 70.65 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 23.6 m120 -67.77 -39.83 84.09 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.4 mt -107.33 -11.16 15.61 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 34.9 t30 -70.37 121.24 17.32 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 122.137 -0.352 . . . . 0.0 110.588 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.01 3.69 87.55 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -93.92 119.02 32.27 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -67.96 121.95 17.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.831 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 77' ' ' ILE . 15.5 tt -141.53 128.31 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.464 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.59 16.38 77.68 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.57 -8.02 79.2 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -136.98 159.58 41.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.609 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.94 129.02 45.24 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -84.76 155.0 22.04 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.24 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -111.48 122.41 47.77 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.425 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.3 mm -106.74 118.33 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.058 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -142.07 144.76 33.73 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.802 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -75.67 144.17 41.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.815 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.5 t -152.95 144.23 23.21 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.777 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -88.41 16.53 6.31 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.349 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.469 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 59.8 t80 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.474 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.625 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.68 79.73 6.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.264 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 31.0 mm -60.99 126.95 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.52 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.8 OUTLIER -74.81 149.69 85.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.171 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.13 155.78 66.98 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.902 2.401 . . . . 0.0 112.071 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -116.01 161.55 12.88 Favored Glycine 0 N--CA 1.47 0.929 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 47.9 t -61.99 -42.16 98.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.003 0.43 . . . . 0.0 111.032 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -62.28 -4.56 1.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.557 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 17.7 t90 -68.19 -5.95 20.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.284 0.564 . . . . 0.0 110.99 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 54.12 2.08 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.004 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 69.28 19.73 74.47 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.545 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 84.0 t -80.54 132.9 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.737 0.303 . . . . 0.0 110.595 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -69.04 129.65 40.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.839 0.352 . . . . 0.0 111.016 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.599 HH21 ' CG2' ' A' ' 29' ' ' THR . 37.2 mmt180 -127.06 109.45 11.89 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 CA--C 1.516 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.709 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 54.5 p90 . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -63.32 -20.32 65.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.0 -28.94 59.43 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.817 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -54.48 -28.81 47.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.395 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -60.85 -45.75 93.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.144 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -63.93 -39.05 93.27 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.253 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.57 93.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.67 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -62.84 -47.92 81.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.616 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -62.47 -42.93 99.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -65.13 -37.59 87.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.926 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.738 -179.508 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.617 ' N ' HE21 ' A' ' 62' ' ' GLN . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.78 0.324 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.576 ' C ' ' HG1' ' A' ' 87' ' ' THR . 59.7 m-85 -121.74 153.17 38.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.613 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.3 pt -129.79 147.61 33.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.525 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -96.05 129.61 43.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.425 ' CD1' HD13 ' A' ' 57' ' ' LEU . 78.8 mt -122.12 119.22 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.414 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.29 -177.65 21.11 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 32.5 t-20 65.83 23.23 11.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.743 0.306 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.83 HD23 ' H ' ' A' ' 18' ' ' LEU . 1.8 pt? -105.23 159.88 15.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -69.92 128.87 37.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.47 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -63.53 -19.38 64.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.43 -29.52 70.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.2 mp -70.96 123.38 21.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.8 p -91.19 -174.34 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.479 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -60.36 -39.73 88.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.18 98.47 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 30' ' ' VAL . 97.0 m-20 -62.86 -41.42 99.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.618 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.23 -41.56 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.531 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' O ' ' OG ' ' A' ' 32' ' ' SER . 77.3 mt -58.6 -48.29 81.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.613 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m -62.11 -40.12 94.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.674 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.578 HG22 ' HE ' ' B' ' 324' ' ' ARG . 53.3 t -62.82 -50.88 77.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -87.54 -14.17 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 110.855 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.539 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 2.1 m -46.25 -60.22 2.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.072 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' OE1' ' NE1' ' B' ' 319' ' ' TRP . 11.7 pt-20 -65.87 -12.24 52.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.75 -177.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.548 ' CE1' ' OD1' ' A' ' 71' ' ' ASN . 55.3 m-85 -112.5 34.57 4.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.76 71.42 0.98 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 36' ' ' VAL . 6.9 p -55.47 120.79 33.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.619 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -76.33 157.93 37.1 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 123.021 2.481 . . . . 0.0 112.216 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.7 m -92.24 -14.79 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.463 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -158.94 146.54 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.427 HG12 ' CD2' ' A' ' 42' ' ' LEU . 21.2 t -134.29 128.9 52.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -93.48 111.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 40' ' ' VAL . 4.0 mm? -102.74 100.58 10.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.431 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 m -85.12 145.61 27.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -148.24 134.71 19.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.73 162.56 38.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.554 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -116.5 146.01 42.89 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 15' ' ' ILE . 1.7 tp -107.96 140.59 40.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.614 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -127.19 102.24 6.85 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.547 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 60' ' ' GLU . 5.6 t80 -121.61 145.17 48.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.603 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.544 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 51.6 tp10 -57.93 -49.63 76.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.731 -178.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -83.94 126.3 32.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.617 HE21 ' N ' ' A' ' 11' ' ' ALA . 92.3 mt-30 -85.84 -38.35 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -62.32 -28.28 69.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -64.62 -36.01 82.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.8 p -56.61 -22.97 37.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.549 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.69 -42.24 84.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.677 HD21 ' CD1' ' B' ' 311' ' ' PHE . 5.7 mp -63.03 -46.95 85.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.624 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.61 -38.32 66.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.539 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 75.2 t -65.08 -69.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.727 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 51.9 t0 -59.51 -16.21 23.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.847 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.548 ' OD1' ' CE1' ' A' ' 34' ' ' TYR . 6.2 m120 -89.33 -50.51 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.019 -177.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.69 20.05 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.842 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 7.6 t-20 -81.82 106.8 14.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.488 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.25 -0.95 86.82 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.62 ' CZ ' ' O ' ' B' ' 325' ' ' SER . 48.9 t80 -66.72 128.5 36.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.366 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -81.39 128.84 34.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.6 mt -143.5 109.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.26 16.3 76.63 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.85 -4.34 63.22 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -123.18 148.25 45.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.785 0.326 . . . . 0.0 110.659 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -96.56 135.65 38.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.17 147.12 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.593 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -120.03 101.2 7.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.481 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mm -98.66 136.96 27.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.399 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -156.84 157.29 34.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.54 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -81.87 151.63 27.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.576 ' HG1' ' C ' ' A' ' 12' ' ' TYR . 56.8 p -128.9 -51.27 1.23 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.687 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 55.74 25.05 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.482 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 89' ' ' TYR . 3.1 p90 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.634 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.677 ' CD1' HD21 ' A' ' 67' ' ' LEU . 75.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.686 0.279 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -93.28 4.36 54.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 85.6 mt -74.58 117.93 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.595 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.0 OUTLIER -95.55 155.1 39.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.82 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -55.1 141.9 78.61 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 123.056 2.504 . . . . 0.0 111.999 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -96.16 162.56 22.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 94.8 p -62.77 -25.19 68.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 0.0 110.661 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -68.38 -14.93 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.618 ' C ' ' H ' ' B' ' 321' ' ' GLY . 18.9 t90 -63.36 -11.13 20.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.627 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 46.2 t0 58.82 -5.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.664 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 78.55 13.26 83.39 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.536 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 43.8 t -70.96 127.57 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.476 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -69.12 132.33 46.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.667 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.578 ' HE ' HG22 ' A' ' 30' ' ' VAL . 69.7 mmt-85 -135.95 115.77 13.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.441 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . 0.62 ' O ' ' CZ ' ' A' ' 75' ' ' PHE . 27.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.656 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 20.7 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.826 0.346 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -57.56 -25.45 59.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -53.58 -28.3 31.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.59 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -32.73 55.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.586 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -61.17 -46.98 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.648 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.39 -38.55 91.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.471 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.05 91.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -63.58 -45.2 91.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -63.61 -40.01 95.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -60.26 -41.95 94.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.66 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.858 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -131.8 160.35 35.84 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.559 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 pt -135.42 143.98 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.249 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.489 ' N ' ' OG1' ' A' ' 87' ' ' THR . 66.6 t80 -93.91 120.91 34.8 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -112.6 118.88 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.96 -178.46 15.42 Favored Glycine 0 N--CA 1.468 0.795 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 53.67 41.51 32.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.73 0.3 . . . . 0.0 110.422 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -98.46 156.97 16.51 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.313 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.424 ' HB3' HD13 ' A' ' 22' ' ' LEU . 39.2 t-20 -73.89 146.97 43.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -65.58 -40.62 92.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.558 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.89 -30.16 71.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.675 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -55.88 113.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.45 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.9 p -95.93 -179.52 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.435 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -60.7 -44.15 96.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.273 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.28 -42.23 99.72 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.459 ' O ' HG23 ' A' ' 30' ' ' VAL . 99.2 m-20 -61.0 -42.64 98.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 0.0 110.697 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.72 -43.48 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.503 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 32' ' ' SER . 14.1 mt -58.19 -46.12 86.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.413 HG23 ' O ' ' B' ' 319' ' ' TRP . 87.4 m -61.61 -40.23 94.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.057 0.456 . . . . 0.0 111.294 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 26' ' ' ASP . 76.4 t -59.89 -50.02 81.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -90.1 -13.32 36.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.107 0.479 . . . . 0.0 111.386 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.2 t -44.55 -56.73 4.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.808 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 16.3 tm-20 -63.27 -26.44 68.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.0 111.198 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -94.52 33.93 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.274 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.97 71.97 1.11 Allowed Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.172 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 36' ' ' VAL . 9.3 p -55.34 129.82 68.94 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.964 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.46 162.48 41.31 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 123.407 2.738 . . . . 0.0 111.638 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -90.33 -14.42 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.516 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -167.33 149.5 5.94 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.428 HG13 HD12 ' A' ' 57' ' ' LEU . 94.5 t -131.5 128.73 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.167 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.6 mt -103.5 113.84 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.977 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 mt -113.05 101.33 9.36 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.035 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.6 m -86.27 148.58 25.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.722 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.1 ptt85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.47 179.612 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.791 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -82.62 154.03 25.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.827 0.346 . . . . 0.0 110.446 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.03 156.79 36.56 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -122.05 124.72 44.63 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.883 0.373 . . . . 0.0 110.19 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.428 HD12 HG13 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -100.99 133.68 45.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.621 -179.609 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -96.19 103.53 15.43 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.839 0.352 . . . . 0.0 110.347 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.93 131.73 37.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.434 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.16 -41.45 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.455 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -109.24 130.51 55.49 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -75.11 -27.06 59.71 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.729 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -78.52 -33.13 48.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.727 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.1 t -61.99 -38.17 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.634 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.612 ' O ' HG23 ' A' ' 69' ' ' VAL . 60.7 p -47.5 -29.5 2.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.59 -41.81 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.715 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.728 HD21 ' CD1' ' B' ' 311' ' ' PHE . 83.1 mt -58.59 -50.39 73.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.142 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.56 93.1 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 65' ' ' THR . 54.0 t -49.9 -70.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.304 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.96 -38.25 81.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 111.947 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 98.6 m-20 -65.21 -43.79 90.42 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 72' ' ' LEU . 4.1 mm? -95.65 -22.22 17.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.852 0.358 . . . . 0.0 111.564 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 19.8 t-20 -62.65 117.69 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 0.0 110.654 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.77 -9.71 76.25 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.525 ' CE1' ' CB ' ' B' ' 325' ' ' SER . 66.1 t80 -77.37 125.63 29.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.594 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -79.21 123.8 27.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.838 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 77' ' ' ILE . 13.3 tt -138.03 130.16 39.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.439 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.89 11.95 70.38 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.12 -20.01 52.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -118.5 140.62 49.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.938 0.399 . . . . 0.0 110.456 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.21 131.03 35.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.63 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -92.07 156.19 17.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.384 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -123.86 122.02 36.89 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.96 126.19 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.903 0.382 . . . . 0.0 110.522 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -132.17 158.2 42.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -67.91 137.73 55.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.568 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.489 ' OG1' ' N ' ' A' ' 14' ' ' TYR . 21.7 m -133.4 129.97 38.09 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.038 0.447 . . . . 0.0 110.231 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -100.15 31.92 3.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.446 ' H ' HG22 ' A' ' 87' ' ' THR . 66.7 t80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.469 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.728 ' CD1' HD21 ' A' ' 67' ' ' LEU . 12.9 m-85 . . . . . 0 N--CA 1.459 -0.008 0 CA-C-O 120.78 0.324 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -153.9 45.68 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.513 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 13.0 mm -76.47 122.03 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.259 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.1 mtm -75.85 153.67 85.01 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.329 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.07 141.07 69.69 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.989 2.459 . . . . 0.0 112.181 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -84.34 149.1 24.61 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 74.0 m -64.45 -38.84 92.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.937 0.398 . . . . 0.0 110.624 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.53 2.01 8.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.557 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.8 t90 -60.69 -14.83 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.138 0.494 . . . . 0.0 111.123 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 53.97 2.13 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 72.01 16.55 76.67 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.523 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 72.6 t -74.24 141.25 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 110.658 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -68.13 145.41 54.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.53 ' HD2' ' H ' ' B' ' 324' ' ' ARG . 0.1 OUTLIER -139.08 151.71 46.94 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.565 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . 0.525 ' CB ' ' CE1' ' A' ' 75' ' ' PHE . 97.4 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.714 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.827 0.346 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -58.9 -20.97 56.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.8 -28.49 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.589 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -52.34 -36.51 53.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -62.78 -44.67 95.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -64.76 -35.68 81.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -58.75 -47.07 85.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -67.23 -37.37 83.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.287 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.69 -42.71 97.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.559 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -68.27 -36.06 78.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.936 0.398 . . . . 0.0 110.748 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.224 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.84 0.353 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -134.28 140.84 46.7 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.682 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.87 119.32 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 85' ' ' ASP . 85.2 t80 -82.75 122.48 28.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.202 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 1.006 HD11 HD12 ' A' ' 57' ' ' LEU . 80.1 mt -109.77 126.48 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.491 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.22 172.17 22.52 Favored Glycine 0 N--CA 1.468 0.787 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 55.27 37.86 29.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.8 0.333 . . . . 0.0 110.54 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -94.72 145.12 25.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -81.12 138.72 35.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -59.23 -21.3 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.654 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -66.33 -21.78 66.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -85.08 124.59 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.368 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -106.89 -171.81 1.96 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.97 -42.15 99.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.489 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.0 -41.15 98.7 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -62.25 -42.36 99.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.95 -41.59 90.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.388 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.34 -43.98 88.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.447 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.6 m -62.07 -42.75 99.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.457 HG22 ' CZ ' ' B' ' 324' ' ' ARG . 76.3 t -60.86 -50.76 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.022 0.439 . . . . 0.0 111.64 -178.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE2' HD13 ' A' ' 57' ' ' LEU . 30.0 m-85 -77.1 -18.63 57.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.213 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' B' ' 319' ' ' TRP . 8.8 t -64.77 -17.26 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.133 0.492 . . . . 0.0 111.975 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.85 -35.7 79.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.061 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -123.74 41.3 3.52 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.2 81.96 1.39 Allowed Glycine 0 N--CA 1.477 1.414 0 C-N-CA 119.626 -1.273 . . . . 0.0 113.075 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.473 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 15.0 p -55.63 133.37 71.7 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-O 121.006 0.431 . . . . 0.0 110.517 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.8 149.13 85.17 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 123.068 2.512 . . . . 0.0 112.302 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.7 p -92.8 -25.61 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.896 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 66.2 t0 -153.6 130.78 11.14 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 21.0 t -124.22 129.33 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.408 ' C ' HD22 ' A' ' 42' ' ' LEU . 77.1 mt -105.38 121.17 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 120.925 0.393 . . . . 0.0 110.944 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 4.1 mm? -100.34 108.76 20.88 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.9 t -74.56 113.63 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 120.872 0.367 . . . . 0.0 110.455 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -167.32 160.79 13.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.744 0.307 . . . . 0.0 110.695 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.64 165.55 35.19 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.798 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -115.73 142.6 46.53 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.006 HD12 HD11 ' A' ' 15' ' ' ILE . 1.5 mt -118.66 131.41 56.16 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.501 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -131.06 113.3 13.76 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.19 0.306 . . . . 0.0 110.532 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 16.5 t80 -115.94 146.74 41.83 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.313 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -53.46 -19.03 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -120.55 121.93 39.47 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.857 0.36 . . . . 0.0 110.727 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -77.79 -21.08 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.783 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -62.69 -29.25 70.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -59.56 -31.01 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.574 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.4 p -60.45 -36.19 77.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.525 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.08 -48.43 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.675 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.525 ' CD1' HD12 ' B' ' 313' ' ' ILE . 34.1 mt -64.09 -38.01 89.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.004 0.431 . . . . 0.0 110.574 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.44 65.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.324 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.53 -19.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.043 0.449 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 52.8 t0 -71.54 -32.59 68.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -116.02 -40.0 3.37 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.94 -26.1 56.56 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -67.74 121.12 15.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.934 0.397 . . . . 0.0 110.461 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.35 11.6 84.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -104.46 133.0 50.07 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.775 0.322 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -79.82 112.73 17.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.62 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 77' ' ' ILE . 1.2 tp -96.47 118.64 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.538 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 77' ' ' ILE . . . 24.01 57.03 0.05 OUTLIER Glycine 0 N--CA 1.474 1.228 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.34 -113.94 1.23 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -91.54 171.12 9.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.817 0.342 . . . . 0.0 110.974 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.11 138.6 34.74 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.027 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -89.51 154.14 20.25 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.113 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -99.51 117.74 34.56 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.9 mm -111.69 126.14 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.1 t0 -157.94 149.79 21.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.685 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -83.51 151.0 25.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.264 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 t -146.08 157.04 43.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -104.19 11.82 34.55 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.242 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 32.7 t80 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.827 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.226 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -79.48 89.67 5.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . 0.525 HD12 ' CD1' ' A' ' 67' ' ' LEU . 65.1 mt -90.61 133.08 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 15.2 mmt -61.67 144.01 93.31 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.44 157.4 56.55 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.939 2.426 . . . . 0.0 112.188 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -93.99 153.47 21.17 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 71.0 m -62.07 -38.17 87.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 0.0 110.782 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -58.55 -13.64 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.546 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 19.7 t90 -61.66 -16.4 48.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.228 0.537 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 55.29 1.67 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 70.48 21.41 77.55 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 44.0 t -68.47 147.22 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.318 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -68.53 111.29 4.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.457 ' CZ ' HG22 ' A' ' 30' ' ' VAL . 39.8 mmt180 -134.05 149.84 51.17 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.878 0.37 . . . . 0.0 110.226 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 17.2 t . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.692 -179.897 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 C--O 1.226 -0.178 0 CA-C-O 121.054 0.454 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' B' ' 329' ' ' GLU . 48.2 mp0 -60.15 -19.5 54.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.061 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' B' ' 331' ' ' LYS . 21.1 pt-20 -43.76 -41.75 5.09 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.95 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' B' ' 330' ' ' GLU . 11.0 ptpt -71.3 -33.84 70.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.394 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -62.16 -47.41 84.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -64.19 -38.75 92.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.252 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.46 96.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -62.03 -41.77 98.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.196 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -64.43 -39.14 93.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 110.159 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -62.78 -39.03 92.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.073 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.727 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.825 0.345 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -130.15 161.41 31.18 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.506 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -136.56 131.01 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.136 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -91.33 130.66 37.16 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.495 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.86 HD11 HD12 ' A' ' 57' ' ' LEU . 60.4 mt -109.61 123.84 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.87 172.83 17.09 Favored Glycine 0 N--CA 1.467 0.726 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 54.38 38.55 29.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.876 0.37 . . . . 0.0 110.764 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.35 141.81 35.66 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.538 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -78.45 140.97 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.26 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.28 -24.71 66.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.18 -29.1 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.4 132.13 47.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -107.34 170.91 7.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.12 -41.24 96.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.33 -43.22 98.71 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.65 -44.73 95.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.788 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.49 -43.92 97.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.489 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 32' ' ' SER . 15.4 mt -57.14 -43.74 82.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.297 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.415 HG23 ' O ' ' B' ' 319' ' ' TRP . 94.4 m -63.06 -40.4 97.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.87 0.367 . . . . 0.0 110.499 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.3 -48.8 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.022 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -85.87 -14.59 44.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.213 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' LEU . 4.1 t -44.92 -53.86 7.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.72 -178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -66.88 -38.24 85.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 111.676 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -81.51 33.52 0.36 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.566 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' CZ ' ' A' ' 59' ' ' TYR . . . 96.09 74.05 1.2 Allowed Glycine 0 N--CA 1.465 0.59 0 C-N-CA 119.962 -1.113 . . . . 0.0 111.185 -179.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.1 p -53.24 126.11 44.29 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 121.082 0.467 . . . . 0.0 111.021 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.9 162.4 37.39 Favored 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 123.323 2.682 . . . . 0.0 112.332 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -90.91 -16.17 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -165.52 156.8 14.18 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.93 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 t -134.06 137.04 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.1 mt -115.91 118.98 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -113.79 127.76 56.14 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.4 m -70.06 132.24 45.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.705 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.527 179.825 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -121.57 149.68 42.78 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.144 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.5 140.62 15.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -121.19 125.08 46.26 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.136 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.86 HD12 HD11 ' A' ' 15' ' ' ILE . 3.8 mt -92.07 143.44 26.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.056 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -108.44 101.71 10.87 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.437 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 1.2 m-85 -100.05 132.83 45.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -70.2 -40.83 74.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.986 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -108.45 130.88 55.24 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.408 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' OG1' ' A' ' 65' ' ' THR . 18.5 pt20 -77.29 -19.06 56.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -70.78 -41.14 72.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 110.937 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -63.16 -36.14 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.823 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 69' ' ' VAL . 70.8 p -51.81 -34.88 42.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.476 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.49 -43.21 98.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 120.817 0.341 . . . . 0.0 110.454 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 27.5 mt -59.9 -50.93 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.052 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.31 79.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 65' ' ' THR . 51.1 t -56.76 -67.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.292 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.37 -36.17 82.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.877 0.37 . . . . 0.0 111.763 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 99.1 m-20 -62.78 -49.82 73.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.8 mm? -85.5 -28.38 25.01 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.832 0.349 . . . . 0.0 111.68 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 34.2 t30 -62.66 118.76 8.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.563 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.48 -18.86 34.86 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -86.94 133.3 33.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.827 0.346 . . . . 0.0 110.323 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -88.6 126.67 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.247 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.45 HD12 HD21 ' A' ' 82' ' ' LEU . 72.7 mt -135.66 129.53 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.413 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.09 19.09 79.83 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.41 -4.69 85.23 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -134.95 158.09 45.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.69 116.98 29.5 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.468 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -67.04 154.85 40.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.269 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -117.06 121.37 41.13 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.775 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mm -102.29 121.98 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 66.0 t0 -136.64 140.02 42.48 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.712 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.495 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 38.8 m170 -63.92 140.08 58.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.446 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.638 HG22 ' H ' ' A' ' 89' ' ' TYR . 95.0 m -125.94 130.97 52.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.573 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -105.13 7.25 33.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.638 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.638 ' H ' HG22 ' A' ' 87' ' ' THR . 87.7 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.466 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.17 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -94.41 78.12 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.502 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.42 134.89 27.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.176 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 21.2 mmt -78.76 121.31 83.35 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.385 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.46 139.58 45.92 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 123.106 2.537 . . . . 0.0 112.319 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -97.59 166.94 23.05 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 60.0 p -68.31 -23.49 64.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.708 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -63.42 -21.18 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.996 0.427 . . . . 0.0 110.713 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.557 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.3 t90 -61.23 -18.11 56.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.049 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 56.27 0.06 0.06 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 73.68 16.05 79.23 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.44 149.25 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 110.387 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . 0.491 ' N ' ' ND1' ' B' ' 323' ' ' HIS . 0.0 OUTLIER -67.03 138.45 57.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.714 -179.554 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.15 147.71 38.88 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.485 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.467 0.405 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.337 179.591 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' B' ' 330' ' ' GLU . 71.4 t80 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.791 0.329 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 15.3 pm0 -43.46 -22.03 0.04 OUTLIER 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 111.048 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' B' ' 328' ' ' PHE . 14.7 tm-20 -56.14 -19.98 15.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.077 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.0 OUTLIER -57.91 -47.72 82.01 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.511 -179.104 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' B' ' 329' ' ' GLU . 68.8 p-90 -85.29 -23.3 28.21 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 111.194 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -65.62 -37.1 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.574 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.18 -47.96 83.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.502 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -67.16 -43.51 82.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.162 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -61.2 -48.6 80.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.685 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -65.94 -38.06 87.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.712 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 -179.553 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.709 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . . . . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 120.723 0.296 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -129.13 146.64 51.02 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.688 0.28 . . . . 0.0 110.986 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -97.92 121.73 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -81.62 121.03 25.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.802 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -111.31 118.63 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -116.14 179.07 17.75 Favored Glycine 0 N--CA 1.47 0.959 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 11.0 t30 56.16 43.76 26.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.773 0.32 . . . . 0.0 110.237 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 27' ' ' ILE . 4.6 tt -96.37 122.15 38.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.397 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.416 ' ND2' ' CG ' ' A' ' 21' ' ' GLU . 65.8 t30 -77.51 143.13 38.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.692 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -58.93 -18.29 32.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.445 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' CG ' ' ND2' ' A' ' 19' ' ' ASN . 81.1 mm-40 -67.06 -29.61 69.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -84.59 133.58 34.42 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.498 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 26' ' ' ASP . 6.6 t -107.78 -179.22 3.84 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.94 -40.51 97.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.82 -41.19 99.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.492 ' H ' HG23 ' A' ' 23' ' ' THR . 27.6 t70 -63.38 -43.23 98.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.47 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 18' ' ' LEU . 86.5 mt -61.08 -43.63 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.211 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.1 mt -57.63 -46.51 84.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.324 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.463 HG23 ' O ' ' B' ' 319' ' ' TRP . 99.0 m -59.15 -42.01 89.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.109 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.06 -49.71 83.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.413 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' A' ' 57' ' ' LEU . 54.5 m-85 -82.41 -14.52 55.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.88 0.372 . . . . 0.0 111.507 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LEU . 47.3 t -50.15 -55.88 13.26 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.82 -17.63 64.04 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.086 0.47 . . . . 0.0 111.761 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -106.99 33.03 4.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.57 71.82 1.03 Allowed Glycine 0 C--N 1.338 0.661 0 C-N-CA 119.817 -1.182 . . . . 0.0 111.249 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.0 p -52.85 125.41 39.05 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.795 -177.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 59.1 Cg_endo -73.7 159.27 45.94 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 123.257 2.638 . . . . 0.0 111.983 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.8 m -95.15 -16.22 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.448 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -160.66 133.45 6.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.707 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.9 t -125.98 124.06 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 120.735 0.303 . . . . 0.0 110.381 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.6 mt -98.65 120.67 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.286 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.552 HD12 ' CB ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -109.09 109.66 20.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.145 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -71.33 132.95 45.62 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.489 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 . . . . . 0 N--CA 1.464 0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -150.34 160.56 43.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 110.428 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.552 ' CB ' HD12 ' A' ' 42' ' ' LEU . . . -155.74 164.87 38.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.541 ' CD1' ' CE1' ' A' ' 89' ' ' TYR . 94.1 m-85 -104.95 137.23 43.03 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.759 0.314 . . . . 0.0 110.447 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 31' ' ' PHE . 6.6 tt -111.37 126.12 54.58 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.025 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 0.9 OUTLIER -98.41 109.01 21.84 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.962 0.411 . . . . 0.0 110.267 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.709 ' OH ' ' HB3' ' A' ' 11' ' ' ALA . 30.7 p90 -98.31 160.6 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.04 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -89.72 -44.42 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 68.0 m-20 -109.12 141.02 41.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.737 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -64.51 -32.26 73.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.961 0.41 . . . . 0.0 110.636 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -59.99 -24.37 64.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.668 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.2 p -63.54 -35.56 80.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.449 ' O ' HG12 ' A' ' 69' ' ' VAL . 43.4 p -64.07 -39.73 94.71 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.663 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.86 -43.81 97.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.278 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' B' ' 311' ' ' PHE . 14.2 mt -57.23 -51.87 67.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.823 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.64 -61.46 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.022 0.439 . . . . 0.0 111.796 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 65' ' ' THR . 3.1 p -49.38 -19.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.049 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -85.9 -49.28 7.99 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -98.58 -38.21 9.24 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 3.0 mm? -75.74 -14.84 60.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.037 0.446 . . . . 0.0 111.212 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -79.56 113.88 18.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.756 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.18 7.64 79.77 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -86.67 129.06 35.01 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.904 0.383 . . . . 0.0 110.687 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.43 119.11 19.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.759 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ILE . 14.6 tt -137.63 126.63 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.422 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.87 17.11 73.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.66 81.13 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -122.27 146.16 47.55 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.828 0.347 . . . . 0.0 110.604 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.531 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -77.44 138.54 39.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.416 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mt -81.69 144.07 31.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.793 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -129.55 101.64 6.02 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.11 135.92 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.418 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 56.4 t0 -154.04 141.45 19.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.635 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.43 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 42.5 m170 -75.58 141.54 42.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.701 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.4 t -146.24 150.0 34.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.626 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -118.8 24.42 10.87 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.541 ' CE1' ' CD1' ' A' ' 56' ' ' TYR . 1.5 p90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.295 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.502 ' CD1' HD21 ' A' ' 67' ' ' LEU . 92.7 m-85 . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 120.886 0.374 . . . . 0.0 110.464 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -134.04 68.56 1.48 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.83 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 24.2 mm -99.29 125.19 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 6.1 ptp -72.34 149.93 91.62 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -70.68 151.2 63.65 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.918 2.412 . . . . 0.0 112.003 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -110.26 157.05 15.25 Favored Glycine 0 N--CA 1.468 0.828 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 45.8 t -62.23 -39.26 92.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 110.472 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.73 -10.22 34.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.496 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.564 ' C ' ' H ' ' B' ' 321' ' ' GLY . 17.7 t90 -61.54 -16.63 49.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.337 0.589 . . . . 0.0 111.077 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 55.05 1.02 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.768 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 75.03 16.74 80.43 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.528 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 82.0 t -76.14 140.04 17.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.525 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.35 125.93 33.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -137.44 108.19 6.63 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.576 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 t80 . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -62.17 -21.15 64.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.622 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -49.13 -28.97 4.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.46 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -56.85 -34.36 67.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.715 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -62.61 -48.85 77.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.775 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -63.69 -39.05 93.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.18 94.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.198 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -72.38 -34.15 67.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -61.04 -30.42 70.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -83.2 -42.28 17.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.659 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 N--CA 1.464 0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.893 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.643 ' HB1' ' CZ ' ' A' ' 59' ' ' TYR . . . . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 120.702 0.286 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 11' ' ' ALA . 38.1 m-85 -153.17 153.23 32.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 13' ' ' ILE . 1.3 mt -110.87 130.75 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -86.27 125.78 33.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.3 mt -121.85 125.24 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.355 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.38 178.45 17.36 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 57.05 40.54 28.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.814 0.34 . . . . 0.0 110.616 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -100.7 153.75 19.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.477 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.435 ' OD1' ' OE2' ' A' ' 21' ' ' GLU . 1.2 m-80 -74.59 136.29 42.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.296 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -60.43 -44.37 95.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.747 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' OE2' ' OD1' ' A' ' 19' ' ' ASN . 18.7 pm0 -66.87 -11.87 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.494 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.73 126.61 28.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.467 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 26' ' ' ASP . 8.8 t -104.23 172.36 6.84 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.665 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -61.71 -36.32 80.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.462 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.03 -45.81 93.37 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.5 m-20 -64.67 -44.97 88.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.544 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.46 -43.96 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 32' ' ' SER . 16.9 mt -58.22 -42.79 87.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.4 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.575 HG23 ' O ' ' B' ' 319' ' ' TRP . 26.3 m -63.54 -41.42 98.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.353 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 26' ' ' ASP . 97.0 t -67.49 -45.13 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.956 0.407 . . . . 0.0 111.014 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -86.2 -14.88 42.64 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 111.113 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 28' ' ' LEU . 1.7 m -47.81 -57.16 5.97 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.036 0.446 . . . . 0.0 111.502 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -69.87 -30.26 67.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.253 0.549 . . . . 0.0 111.106 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -90.31 34.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.182 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.49 73.32 1.13 Allowed Glycine 0 N--CA 1.465 0.583 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.481 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -54.37 118.9 17.72 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-O 120.958 0.409 . . . . 0.0 110.67 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.46 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 60.2 Cg_endo -75.15 159.14 41.14 Favored 'Trans proline' 0 N--CA 1.505 2.161 0 C-N-CA 123.676 2.917 . . . . 0.0 111.803 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 38' ' ' VAL . 15.1 m -92.62 -22.25 5.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.518 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -150.09 142.17 24.0 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.733 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.1 t -135.16 132.82 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.766 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.3 mt -117.46 123.15 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-O 120.692 0.282 . . . . 0.0 110.696 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.75 143.11 40.02 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.773 0.32 . . . . 0.0 110.62 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.446 ' HG ' ' HE1' ' A' ' 54' ' ' PHE . 29.8 t -59.05 157.59 9.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 . . . . . 0 N--CA 1.469 0.475 0 CA-C-O 120.781 0.324 . . . . 0.0 110.788 -179.31 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.868 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.446 ' HE1' ' HG ' ' A' ' 43' ' ' SER . 6.2 p90 -129.13 160.2 33.61 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.958 0.408 . . . . 0.0 110.38 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.69 153.91 32.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CE2' ' CE2' ' A' ' 89' ' ' TYR . 61.9 m-85 -106.88 145.15 32.52 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.285 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -123.63 132.14 53.79 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.994 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 84.5 tttt -105.45 107.71 18.84 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 110.319 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.643 ' CZ ' ' HB1' ' A' ' 11' ' ' ALA . 28.3 p90 -96.94 158.31 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.815 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -88.73 -38.56 14.62 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 10.0 p-10 -116.38 140.05 49.76 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.783 0.325 . . . . 0.0 110.628 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -62.63 -29.66 70.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -59.36 -26.6 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.717 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.7 m -60.11 -37.92 81.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.1 p -63.51 -40.17 96.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.04 -42.29 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.091 0.472 . . . . 0.0 110.796 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.924 HD21 ' CD1' ' B' ' 311' ' ' PHE . 47.9 mt -65.89 -38.79 89.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.071 0.463 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.98 65.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.092 0.472 . . . . 0.0 111.191 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.39 -19.32 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.156 0.503 . . . . 0.0 110.612 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.96 -46.31 62.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.804 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' B' ' 325' ' ' SER . 54.7 t30 -115.82 -42.55 3.08 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -177.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.08 10.72 1.77 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.926 0.393 . . . . 0.0 111.196 -177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -86.62 110.51 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.35 9.08 87.32 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -54.26 131.26 41.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.6 0.238 . . . . 0.0 110.467 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.46 106.02 15.73 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.4 mt -141.35 125.42 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.906 0.384 . . . . 0.0 110.278 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.53 18.52 79.96 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.36 3.56 89.93 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -125.31 153.39 43.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 110.566 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.52 124.48 40.53 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.03 142.84 58.23 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.786 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -118.67 101.6 8.23 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.096 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.0 mm -98.26 132.75 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.634 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.62 143.45 14.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.688 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -73.53 145.62 45.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.573 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -147.35 146.38 29.64 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.68 8.5 44.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.326 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.632 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 64.3 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.506 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.924 ' CD1' HD21 ' A' ' 67' ' ' LEU . 11.5 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.892 0.377 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -123.89 45.38 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 23.8 mm -89.63 116.17 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.136 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.2 OUTLIER -77.5 147.82 75.95 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.36 165.4 31.79 Favored 'Trans proline' 0 N--CA 1.503 2.031 0 C-N-CA 123.404 2.736 . . . . 0.0 111.978 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -135.43 171.14 22.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 42.7 t -69.79 -41.16 75.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.021 0.439 . . . . 0.0 110.87 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -60.21 -23.48 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.61 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.5 t90 -59.07 -20.79 56.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 110.787 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.29 -28.57 0.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.61 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 100.4 15.1 30.88 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.421 ' CG1' HG22 ' A' ' 29' ' ' THR . 4.3 p -62.84 138.6 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.614 0.245 . . . . 0.0 110.561 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -82.83 129.63 35.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.803 0.335 . . . . 0.0 110.575 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.725 ' NE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -135.99 108.45 7.38 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.343 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . 0.461 ' HA ' HD21 ' A' ' 71' ' ' ASN . 66.8 m . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.648 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 46.3 p90 . . . . . 0 C--O 1.226 -0.135 0 CA-C-O 120.726 0.298 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -61.37 -18.71 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.133 0.492 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.18 -37.56 69.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.5 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.413 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 54.7 pttt -60.97 -38.12 84.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.366 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . 0.413 ' N ' ' CG ' ' B' ' 331' ' ' LYS . 76.9 t90 -61.74 -48.08 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.321 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -65.08 -38.93 92.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.372 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.85 98.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.687 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -60.75 -44.37 96.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.391 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -64.02 -40.96 97.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.438 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -66.15 -35.21 79.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.685 -179.407 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.81 0.338 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -131.38 138.25 49.05 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.739 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -128.64 142.87 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.025 0.441 . . . . 0.0 110.173 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -93.92 117.59 30.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.0 mt -112.27 115.14 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.42 -179.9 16.52 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 63.96 32.32 13.18 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.932 0.396 . . . . 0.0 110.714 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.62 139.3 39.1 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.451 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.44 138.09 58.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.241 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -60.17 -19.17 52.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.22 -29.72 70.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 22' ' ' LEU . 11.1 mp -69.85 125.18 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.261 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.8 p -106.32 -173.94 2.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.634 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.44 -39.95 89.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.625 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.32 -44.83 97.13 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.0 t70 -62.99 -48.53 78.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 111.051 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.96 -45.96 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.324 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' OG ' ' A' ' 32' ' ' SER . 14.1 mt -59.86 -48.66 80.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.47 HG23 ' O ' ' B' ' 319' ' ' TRP . 96.0 m -63.49 -42.42 98.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.049 0.452 . . . . 0.0 110.994 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 26' ' ' ASP . 61.9 t -61.7 -48.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.164 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -85.74 -15.97 40.42 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.476 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 3.2 m -46.49 -58.06 4.13 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.894 0.378 . . . . 0.0 111.687 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -65.58 -26.29 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.03 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.436 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 58.5 m-85 -100.74 34.76 2.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.672 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.44 72.02 0.95 Allowed Glycine 0 C--N 1.34 0.786 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.21 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -56.38 124.47 61.49 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-O 120.955 0.407 . . . . 0.0 110.848 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.69 159.47 35.18 Favored 'Trans proline' 0 N--CA 1.489 1.214 0 C-N-CA 123.06 2.507 . . . . 0.0 112.525 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -90.47 -16.87 8.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.645 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -173.27 155.92 3.02 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.722 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -140.47 150.53 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.657 0.265 . . . . 0.0 110.33 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.4 mt -111.04 119.39 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.855 0.36 . . . . 0.0 110.314 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 42' ' ' LEU . 4.3 mm? -96.7 108.04 20.61 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.0 t -74.92 125.89 29.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 . . . . . 0 C--N 1.333 -0.15 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.47 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.43 160.52 26.44 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.96 163.93 39.11 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.656 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -111.79 120.86 43.41 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.132 0.492 . . . . 0.0 110.559 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.87 144.03 26.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.506 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -120.9 106.31 11.51 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.9 0.381 . . . . 0.0 110.674 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.615 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 47.5 t80 -114.25 167.15 10.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.306 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.615 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 81.3 mm-40 -75.46 -59.0 2.94 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 95.4 m-20 -115.45 130.1 56.78 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.838 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' OG1' ' A' ' 65' ' ' THR . 19.0 pt20 -59.77 -22.43 62.1 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.932 0.396 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' ILE . 89.6 mtm180 -60.5 -22.07 63.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.601 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.544 ' OG ' ' CE2' ' A' ' 59' ' ' TYR . 82.9 p -78.26 -35.68 47.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.901 0.381 . . . . 0.0 111.383 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 69' ' ' VAL . 39.9 p -65.28 -32.51 74.2 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.732 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 63' ' ' ARG . 13.9 tt -48.54 -31.76 3.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.639 ' CD1' HD12 ' B' ' 313' ' ' ILE . 8.9 mt -70.29 -53.39 17.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.159 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -63.67 -35.0 79.1 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.686 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 65' ' ' THR . 74.5 t -59.74 -49.41 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.314 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -86.2 -11.09 53.39 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 90.0 m-20 -100.59 -14.65 18.09 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD12 ' HB1' ' A' ' 68' ' ' ALA . 77.3 mt -120.73 -16.34 8.23 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.005 0.431 . . . . 0.0 111.595 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 14.5 t-20 -68.49 116.84 9.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.33 7.76 79.1 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -94.58 124.65 38.74 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 110.337 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -76.49 130.1 37.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.73 130.1 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 66.97 23.1 72.67 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.71 -8.9 79.11 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -134.45 155.45 50.32 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 122.622 -0.34 . . . . 0.0 110.78 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.55 135.63 40.68 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.707 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.799 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -93.7 156.22 16.81 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -123.43 126.8 47.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 84' ' ' ILE . 5.3 mp -110.98 135.54 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.36 0.6 . . . . 0.0 109.925 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 40.4 t0 -150.2 149.0 29.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.796 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.459 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 47.1 m-70 -78.61 130.46 35.94 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.13 -30.73 4.59 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.781 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 54.25 31.22 13.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.397 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.875 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 311' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 8.8 m-85 . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 120.865 0.364 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -141.51 44.75 1.73 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.68 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 313' ' ' ILE . . . . . 0.639 HD12 ' CD1' ' A' ' 67' ' ' LEU . 82.4 mt -84.37 123.22 38.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 314' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.0 OUTLIER -68.43 148.34 98.16 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.238 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.67 159.71 48.06 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 123.033 2.489 . . . . 0.0 112.192 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -103.36 153.25 18.02 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 88.8 p -61.72 -36.43 80.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.575 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -66.25 -3.9 6.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 319' ' ' TRP . . . . . 0.652 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.1 t90 -63.11 -14.77 52.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.23 0.538 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 28.0 t0 62.94 -20.01 0.05 Allowed 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.759 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 92.2 9.52 61.92 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 322' ' ' VAL . . . . . 0.402 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 80.5 t -71.09 135.11 28.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.841 0.353 . . . . 0.0 110.412 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -81.05 120.91 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.359 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' B' ' 324' ' ' ARG . 11.2 mmp_? -132.71 106.32 7.7 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.779 179.906 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.731 0.301 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.44 -19.82 50.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.401 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -48.45 -31.05 5.74 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.461 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -56.27 -28.57 59.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.399 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -60.9 -44.99 96.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.14 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -64.04 -39.53 94.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.218 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.55 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.502 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.28 -39.22 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.368 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -65.41 -24.67 67.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.65 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -86.88 -41.43 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.113 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.781 179.695 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.06 65.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 110.689 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.1 mmt -82.1 140.34 33.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.479 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.04 -9.87 75.89 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -116.69 -46.91 2.73 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.74 0.305 . . . . 0.0 110.505 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 43.51 81.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.832 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -68.51 146.25 53.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 10' ' ' ASN . 28.3 mmtp -79.56 -150.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.413 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 26.3 p-10 -58.44 76.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 8' ' ' LYS . 51.1 t30 -127.27 37.29 4.28 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.886 0.374 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.72 117.82 20.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.722 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -135.91 144.78 45.7 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.713 HD11 HD11 ' A' ' 57' ' ' LEU . 8.1 pt -129.51 146.44 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 121.055 0.455 . . . . 0.0 110.483 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -92.82 129.98 38.57 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.848 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.555 HD11 HD21 ' A' ' 57' ' ' LEU . 60.5 mt -116.31 120.95 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.828 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.6 169.73 20.69 Favored Glycine 0 N--CA 1.472 1.045 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 35.3 t-20 61.36 44.29 9.74 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.98 0.419 . . . . 0.0 110.533 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 156.33 17.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.275 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.5 143.51 57.86 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.934 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -64.75 -40.28 95.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -73.82 -11.18 60.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.7 122.05 12.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.348 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -106.05 179.16 4.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.53 -39.35 90.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.15 -44.42 97.38 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.5 m-20 -63.59 -43.08 98.01 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.736 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.94 -44.95 99.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.403 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 32' ' ' SER . 21.9 mt -60.46 -43.85 96.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.592 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.4 m -63.49 -42.64 98.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.857 0.36 . . . . 0.0 111.002 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 26' ' ' ASP . 71.2 t -61.68 -49.5 84.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.171 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -86.76 -12.79 47.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.828 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.8 t -43.63 -56.87 3.47 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -68.92 -39.49 79.62 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.096 0.474 . . . . 0.0 111.695 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -78.94 33.35 0.22 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.6 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 59' ' ' TYR . . . 98.11 71.27 1.02 Allowed Glycine 0 C--N 1.34 0.802 0 C-N-CA 119.574 -1.298 . . . . 0.0 111.904 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.5 p -56.88 126.92 73.81 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.043 -176.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 74.2 Cg_endo -76.8 161.12 33.75 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 123.278 2.652 . . . . 0.0 112.037 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.5 m -94.96 -8.16 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -160.89 143.73 12.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.743 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.14 126.38 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.1 mt -110.03 126.6 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.591 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 55' ' ' ALA . 16.1 mt -118.11 124.99 49.39 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.944 0.402 . . . . 0.0 110.606 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.9 m -73.16 139.59 46.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -140.87 141.95 34.58 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.622 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 49' ' ' GLY . 65.2 t0 -81.75 113.95 20.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.22 -28.55 64.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.384 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -62.83 -43.71 98.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.792 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.572 HG23 ' N ' ' A' ' 49' ' ' GLY . 9.8 t -134.87 -46.37 0.73 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.947 0.403 . . . . 0.0 110.735 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.572 ' N ' HG23 ' A' ' 48' ' ' THR . . . 83.97 -129.83 9.39 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 58.16 -80.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.321 . . . . 0.0 110.609 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' GLY . 80.0 p -72.94 161.39 30.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.602 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 13.3 mp0 -123.99 -72.81 0.66 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.799 0.333 . . . . 0.0 110.69 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.441 ' O ' ' CD1' ' A' ' 54' ' ' PHE . . . 88.32 -11.52 67.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 53' ' ' GLY . 5.5 m-85 -150.47 144.23 25.26 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.371 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.576 ' HB2' HD23 ' A' ' 42' ' ' LEU . . . -154.82 147.53 24.34 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.606 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 56' ' ' TYR . 2.6 m-85 -141.53 136.95 31.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.193 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.713 HD11 HD11 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -127.66 146.49 50.54 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 17.8 ttmm -88.12 129.09 35.41 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 110.905 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -96.67 142.17 29.03 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.351 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.61 -41.63 97.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.944 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -123.06 135.62 54.49 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.926 0.393 . . . . 0.0 110.515 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.537 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 10.1 pm0 -69.81 -23.94 63.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -80.78 -29.37 36.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.945 0.402 . . . . 0.0 110.437 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.4 m -67.6 -23.95 65.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.544 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.696 ' O ' HG23 ' A' ' 69' ' ' VAL . 81.9 p -60.17 -27.37 67.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.39 -40.14 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.449 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 38.7 mt -56.33 -60.33 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.638 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.81 77.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.027 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 65' ' ' THR . 78.0 t -60.0 -65.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.303 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.26 -16.45 62.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.422 ' OD1' ' ND2' ' B' ' 326' ' ' ASN . 98.5 m-20 -90.55 -51.02 5.61 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.9 mm? -90.8 8.08 36.56 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.407 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 8.2 t-20 -78.61 109.67 13.03 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.12 1.88 90.2 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.543 ' CZ ' ' O ' ' B' ' 325' ' ' SER . 47.3 t80 -70.19 134.44 48.09 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -89.13 128.74 35.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.013 0.435 . . . . 0.0 111.786 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.5 mt -141.59 110.64 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.08 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 20.26 79.55 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.61 10.33 73.43 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -126.91 130.76 50.76 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.015 0.436 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.541 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -82.6 126.14 31.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.8 142.8 48.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -120.01 102.67 8.71 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.14 136.2 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.122 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -154.24 153.51 31.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -75.43 141.03 43.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.1 p -91.19 178.49 5.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.748 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -145.17 -5.6 0.68 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.74 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 89' ' ' TYR . 28.0 p90 -80.3 154.09 28.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.456 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -105.89 148.16 36.03 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.024 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -70.18 163.77 37.38 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.81 2.34 . . . . 0.0 111.964 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -47.16 127.8 10.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.464 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -69.53 146.26 51.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.797 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.9 m -143.64 101.59 3.79 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.425 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 95' ' ' LEU . 1.6 tt -94.81 89.77 5.8 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.455 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -143.17 -93.28 0.12 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.876 0.369 . . . . 0.0 110.5 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -65.58 -23.93 66.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.23 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.464 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 88.1 t80 -60.9 -17.06 48.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.654 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.89 -41.61 67.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -64.3 -18.62 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.465 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 98' ' ' TYR . . . -75.79 -12.43 60.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.728 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.9 t -61.34 139.93 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.524 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 78.9 tttt 67.98 155.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.289 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.0 mp0 -72.69 79.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.759 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' C ' HD12 ' A' ' 106' ' ' LEU . 75.7 mm-40 -64.74 -41.09 96.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.566 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 105' ' ' GLU . 9.4 mp -108.69 -83.58 0.55 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.4 t0 46.31 51.1 11.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 52.71 42.93 31.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.242 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.3 t0 59.15 50.51 7.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.473 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.7 mm 56.76 51.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.53 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.7 t 53.95 81.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.9 t -61.15 -41.36 96.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.371 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -68.17 -12.95 61.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.47 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 58.87 -139.85 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.398 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.34 104.43 17.01 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.84 0.352 . . . . 0.0 110.45 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 49.25 -176.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 117' ' ' GLU . 18.2 pm0 -80.33 152.53 28.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.79 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.528 179.793 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -73.26 124.66 26.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.438 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -69.16 147.27 97.42 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.54 -37.19 17.57 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 122.72 2.28 . . . . 0.0 112.216 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -165.38 154.59 11.06 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.91 153.59 68.09 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.668 2.245 . . . . 0.0 111.841 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -154.97 179.85 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.598 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -72.59 133.65 44.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -52.4 5.03 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.468 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -73.39 105.34 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.877 -179.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.32 72.56 7.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.399 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.91 125.11 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.074 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 6.1 ptp -67.16 148.27 98.84 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.34 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.7 162.46 41.17 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 123.011 2.474 . . . . 0.0 112.217 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -118.98 168.16 13.27 Favored Glycine 0 N--CA 1.469 0.834 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 75.5 m -61.85 -36.69 81.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.938 0.399 . . . . 0.0 110.473 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -54.46 -25.33 24.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.699 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.649 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.1 t90 -60.67 -8.5 2.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.131 0.491 . . . . 0.0 111.483 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 11.1 t70 62.48 -22.61 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.649 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 88.74 17.21 57.05 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.502 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 25.1 m -74.29 152.94 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -68.81 124.32 23.36 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.834 0.349 . . . . 0.0 111.213 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -138.47 110.03 7.04 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . 0.543 ' O ' ' CZ ' ' A' ' 75' ' ' PHE . 57.9 m -116.44 155.86 27.82 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.921 0.391 . . . . 0.0 110.739 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.422 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 11.8 p-10 -139.42 -20.39 0.94 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.826 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -157.59 145.62 12.2 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -68.9 -24.81 64.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.952 0.406 . . . . 0.0 110.284 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -56.83 -20.75 24.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.635 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -49.05 -24.73 1.69 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -56.74 -30.62 63.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -61.61 -47.12 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.89 -39.78 93.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.403 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.93 98.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.652 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -61.84 -40.78 96.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.755 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -64.38 -42.1 96.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.32 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.01 -30.16 66.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -94.92 82.04 3.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 97.5 mt -130.52 113.48 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.267 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -116.97 5.22 12.85 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.822 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -137.7 129.09 27.97 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.908 0.385 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.649 179.843 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.64 69.05 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.74 0.305 . . . . 0.0 110.643 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.0 ptp -147.34 160.31 42.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.38 -172.57 36.91 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -80.72 69.54 7.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.692 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -137.98 121.44 17.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.502 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -132.15 -9.22 3.39 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.858 0.361 . . . . 0.0 110.671 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -76.7 -74.3 0.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 48.66 30.14 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.461 ' O ' ' CD2' ' A' ' 12' ' ' TYR . 89.8 m-20 -104.12 18.62 21.68 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.549 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 139.44 49.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.464 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 10' ' ' ASN . 76.3 m-85 -120.31 152.07 38.33 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.793 HD11 HD11 ' A' ' 57' ' ' LEU . 21.0 pt -115.24 137.59 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.144 0.497 . . . . 0.0 110.121 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -82.14 116.82 21.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.178 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.7 mt -108.79 97.73 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.21 173.42 30.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 50.25 39.29 19.58 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.752 0.311 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt -86.26 127.51 34.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -67.3 129.19 39.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.385 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -66.46 -23.31 66.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.59 -30.44 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 22' ' ' LEU . 7.7 mp -76.85 138.02 39.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.548 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -107.1 -170.46 1.71 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.96 -43.62 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.71 -41.2 99.57 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 30' ' ' VAL . 95.0 m-20 -62.27 -44.98 95.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 110.943 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.55 -42.49 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.366 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' SER . 28.4 mt -61.32 -46.15 91.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.565 HG23 ' O ' ' B' ' 319' ' ' TRP . 16.9 m -63.9 -39.37 94.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.993 0.425 . . . . 0.0 110.672 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 26' ' ' ASP . 69.3 t -63.38 -50.15 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.266 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -86.4 -12.9 47.89 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.666 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.4 m -42.08 -56.31 2.89 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.59 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -68.32 -37.76 80.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 111.201 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.41 ' CZ ' ' ND2' ' A' ' 71' ' ' ASN . 54.3 m-85 -83.95 35.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.591 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.51 71.16 0.97 Allowed Glycine 0 N--CA 1.468 0.782 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.596 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.8 p -53.2 107.29 0.81 Allowed Pre-proline 0 CA--C 1.535 0.366 0 CA-C-O 121.241 0.544 . . . . 0.0 110.758 -177.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.683 ' HG3' HD13 ' A' ' 57' ' ' LEU . 29.1 Cg_exo -60.28 155.3 46.94 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 123.056 2.504 . . . . 0.0 112.312 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.455 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 23.8 m -94.81 -25.93 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.042 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 38' ' ' VAL . 90.6 m-20 -145.72 136.84 24.73 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -127.3 129.06 70.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.726 0.298 . . . . 0.0 110.416 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.434 HD12 ' OH ' ' A' ' 89' ' ' TYR . 95.6 mt -100.78 124.56 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.716 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 42' ' ' LEU . 3.5 mm? -103.16 108.38 19.55 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.153 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.462 ' OG ' ' CE2' ' A' ' 54' ' ' PHE . 83.5 p -69.6 155.3 40.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.566 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -130.44 129.8 43.45 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.734 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLY . 65.2 t0 -81.87 123.38 28.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.87 -19.04 64.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.987 0.422 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -69.65 -40.83 76.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.6 p -110.25 -32.6 6.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.031 0.443 . . . . 0.0 110.859 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 75.88 19.63 78.66 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.495 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 23.9 pt-20 -155.54 -35.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.721 0.296 . . . . 0.0 110.771 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 82.0 p -70.23 158.24 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.791 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 18.5 mp0 -138.13 -79.1 0.36 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.874 0.368 . . . . 0.0 110.453 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.13 -9.81 75.42 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.462 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 46.9 p90 -158.01 158.86 35.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.669 0.271 . . . . 0.0 110.559 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.66 167.24 30.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.568 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -130.67 128.47 40.98 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.797 0.332 . . . . 0.0 110.745 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 13' ' ' ILE . 4.4 pp -132.27 146.62 52.12 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.491 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -129.35 143.03 50.68 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.746 0.308 . . . . 0.0 111.106 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 42.2 t80 -117.88 167.84 11.04 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.666 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.566 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 45.5 tp10 -59.92 -42.99 95.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.529 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -104.89 113.19 26.63 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.95 0.405 . . . . 0.0 110.63 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -63.66 -33.25 75.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -58.62 -29.44 66.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.713 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.1 m -60.6 -25.53 66.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.794 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.5 p -62.37 -25.34 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.51 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.69 -39.03 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.37 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' B' ' 311' ' ' PHE . 23.9 mt -55.69 -49.22 73.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.721 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.53 94.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.12 -32.04 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.782 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -91.51 -13.97 31.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.221 -0.299 . . . . 0.0 111.567 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' B' ' 326' ' ' ASN . 40.7 t30 -118.36 -55.02 2.26 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 7.1 mp -90.06 21.47 3.69 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -85.51 108.06 17.75 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.261 -0.274 . . . . 0.0 110.561 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.64 2.81 70.65 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -63.66 126.56 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.688 0.28 . . . . 0.0 110.634 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -69.42 115.22 8.44 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.793 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 80' ' ' ARG . 16.2 tt -142.46 132.47 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.12 19.88 78.75 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.38 74.61 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' ILE . 97.2 mtt180 -136.84 153.71 50.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.832 0.348 . . . . 0.0 110.664 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.06 129.52 38.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -87.06 148.9 25.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.088 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -103.4 119.53 39.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.353 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.36 116.92 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.85 0.357 . . . . 0.0 110.287 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -143.93 161.39 38.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.432 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -88.86 131.77 34.96 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.37 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 12' ' ' TYR . 6.7 t -138.92 143.87 38.84 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -127.45 42.21 3.37 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.434 ' OH ' HD12 ' A' ' 41' ' ' ILE . 22.5 p90 -62.05 134.72 56.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -57.15 136.62 80.72 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.198 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.44 159.72 39.45 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 123.112 2.541 . . . . 0.0 112.085 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.75 -21.23 66.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.409 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 -64.39 129.38 39.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.402 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.1 m -161.55 69.17 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 96' ' ' GLN . 1.7 tt -148.92 111.53 4.77 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.356 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.511 ' N ' HD23 ' A' ' 95' ' ' LEU . 49.5 tt0 -156.95 -47.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.538 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -171.84 37.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.526 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 41.0 p90 -51.35 131.25 28.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.438 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -136.12 -32.26 0.87 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.089 0.471 . . . . 0.0 110.446 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -71.49 -17.27 62.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.584 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.57 -17.7 61.15 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.2 m -112.29 -18.97 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-O 120.886 0.374 . . . . 0.0 110.949 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -47.45 -91.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -134.62 25.73 3.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -61.71 -42.24 98.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.662 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 106' ' ' LEU . 1.1 tt -71.59 -41.48 68.91 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.106 0.479 . . . . 0.0 110.459 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -59.87 -42.2 93.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 55.98 -96.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -154.92 21.55 0.44 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.447 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 111' ' ' VAL . 20.1 tt -76.54 -6.04 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.658 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 111' ' ' VAL . 9.8 p -35.58 124.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.766 0.317 . . . . 0.0 110.944 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.8 p -64.9 -35.76 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.751 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.66 140.91 55.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.298 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -135.52 5.94 3.22 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.777 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.2 m120 51.39 42.69 29.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.08 87.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.445 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 118' ' ' LYS . 99.1 mt-10 -61.44 -29.13 69.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.511 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 117' ' ' GLU . 25.0 pttm . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.801 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 304' ' ' LYS . 66.5 t0 -62.54 140.68 58.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.391 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' B' ' 303' ' ' ASP . 63.6 mttp -63.74 147.98 95.11 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.26 -21.08 48.45 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.866 2.377 . . . . 0.0 112.185 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' B' ' 307' ' ' PRO . . . -123.27 167.29 15.14 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.936 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' B' ' 306' ' ' ALA . 59.7 Cg_exo -49.45 145.51 16.12 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.852 2.368 . . . . 0.0 112.067 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 20.2 pm0 -59.34 -15.49 16.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.529 ' OD1' ' ND2' ' B' ' 337' ' ' ASN . 69.0 m-80 -73.47 138.73 45.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.541 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -62.47 -40.82 97.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.4 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.484 ' CD1' HD21 ' A' ' 67' ' ' LEU . 78.9 m-85 -135.55 -176.34 4.25 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.572 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -125.77 49.12 1.98 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.82 0.343 . . . . 0.0 111.109 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 33.2 mm -80.27 127.62 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.04 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -89.14 118.54 69.28 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.107 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.74 147.26 32.18 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 123.256 2.637 . . . . 0.0 111.999 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -118.32 162.94 13.08 Favored Glycine 0 N--CA 1.469 0.874 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 67.9 m -60.74 -36.93 80.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.148 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -53.95 -22.01 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.36 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' THR . 20.6 t90 -61.87 -23.15 66.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.305 0.574 . . . . 0.0 111.473 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 20.2 t0 65.22 -11.29 0.16 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.731 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 81.13 18.95 68.16 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 29' ' ' THR . 8.7 p -63.29 150.57 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 O-C-N 122.711 -0.288 . . . . 0.0 110.442 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -81.8 133.23 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.824 0.345 . . . . 0.0 110.662 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.887 ' HE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -139.81 142.53 36.66 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.848 0.356 . . . . 0.0 110.167 -179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 88.3 p -158.37 162.73 37.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.499 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 71' ' ' ASN . 36.2 t30 -123.29 -91.47 0.55 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.686 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -74.54 162.79 54.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -61.4 -46.37 90.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.804 0.335 . . . . 0.0 110.412 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.31 -19.73 62.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.032 0.444 . . . . 0.0 110.777 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -47.99 -35.67 11.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -57.53 -37.46 73.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.986 0.422 . . . . 0.0 110.235 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -65.71 -45.46 82.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.349 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -45.93 88.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.138 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.27 93.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.456 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -57.77 -44.21 86.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.17 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.78 -37.75 88.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.574 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . 0.529 ' ND2' ' OD1' ' B' ' 309' ' ' ASN . 86.8 m-20 -89.03 -3.37 58.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -124.25 34.06 5.13 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.13 -41.35 89.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.163 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -56.63 134.15 54.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.383 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -61.54 -40.31 94.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.421 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.06 -72.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.399 . . . . 0.0 110.702 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 1' ' ' GLY . 71.9 mtm 52.86 -130.55 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.674 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.25 -0.9 84.62 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.1 m120 52.48 42.07 31.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.404 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.0 mp0 54.45 51.81 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.598 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 58.31 27.85 15.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.473 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt 51.03 35.39 12.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.63 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -96.7 7.16 47.21 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.428 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -105.06 18.35 22.51 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.686 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.02 145.94 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.451 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 89' ' ' TYR . 38.5 m-85 -131.11 149.45 52.59 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.458 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -110.94 119.32 59.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -85.36 117.7 24.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.9 mt -114.29 128.81 71.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -142.03 172.79 23.98 Favored Glycine 0 N--CA 1.465 0.62 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 64.99 37.85 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.784 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.02 149.24 24.45 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.059 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -70.24 139.29 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.341 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HD2' ' H ' ' A' ' 20' ' ' ARG . 2.4 mpt_? -69.91 -17.95 63.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.229 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -64.93 -24.43 67.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.22 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.0 mt -85.76 139.1 31.6 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.325 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.1 p -106.01 -173.38 2.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.02 -41.27 96.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.455 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.5 -41.07 99.36 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' VAL . 96.6 m-20 -62.73 -42.82 99.85 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.822 0.344 . . . . 0.0 110.799 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -62.63 -44.23 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.076 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.9 mt -56.95 -48.0 79.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.246 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.596 HG23 ' O ' ' B' ' 319' ' ' TRP . 79.7 m -60.91 -43.25 98.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 111.364 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 26' ' ' ASP . 62.9 t -61.19 -47.23 94.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -85.54 -13.58 48.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.433 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' LEU . 27.7 t -47.55 -56.26 7.49 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -177.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -68.53 -25.42 64.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.912 0.387 . . . . 0.0 111.314 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -96.85 35.1 1.59 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.746 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' CE1' ' A' ' 59' ' ' TYR . . . 100.09 68.21 0.86 Allowed Glycine 0 C--N 1.342 0.869 0 C-N-CA 119.512 -1.328 . . . . 0.0 111.965 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.2 p -58.05 119.34 33.72 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.99 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.4 159.09 43.85 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 123.058 2.506 . . . . 0.0 112.374 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 38' ' ' VAL . 16.3 m -91.8 -16.75 7.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.2 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 58.3 t0 -172.78 139.83 0.92 Allowed 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.773 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 10.5 m -129.25 149.59 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -112.73 125.68 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mp -110.26 101.55 10.29 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.24 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.7 t -70.97 136.04 48.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.451 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -134.42 142.18 47.06 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.733 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -84.11 121.93 28.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -71.91 -13.29 61.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.769 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -61.86 -39.82 93.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.717 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.54 -30.62 5.12 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.821 0.343 . . . . 0.0 110.591 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.34 0.54 89.9 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -138.15 63.13 1.54 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.808 0.337 . . . . 0.0 110.57 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.7 t -135.32 126.51 28.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.386 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 25.5 mt-30 -146.55 -126.08 0.07 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.374 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.05 84.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.454 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 9.0 p90 -155.01 151.23 28.2 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.262 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.64 163.98 37.69 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -110.55 134.12 52.68 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.886 0.374 . . . . 0.0 110.494 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.36 145.29 37.77 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -131.07 108.23 9.62 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.363 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.447 ' CE1' ' C ' ' A' ' 35' ' ' GLY . 45.1 t80 -106.95 155.58 19.63 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -60.57 -42.05 95.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.733 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -107.72 156.33 19.21 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.322 0.582 . . . . 0.0 111.337 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -85.98 -21.78 27.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.325 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -66.74 -27.85 67.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.5 p -61.73 -22.53 65.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 69' ' ' VAL . 80.6 p -64.51 -36.89 85.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.69 -41.86 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.068 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' B' ' 311' ' ' PHE . 39.6 mt -61.87 -62.63 1.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.485 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.32 -36.51 14.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.634 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 65' ' ' THR . 68.8 t -69.51 -68.43 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.034 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -59.11 -14.8 11.2 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 26.1 m120 -91.16 -48.04 7.18 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.8 mt -101.51 0.95 37.52 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 35.1 t30 -80.25 115.58 19.88 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.55 -9.27 77.54 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -78.42 117.04 19.26 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -77.93 109.85 12.34 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.222 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 10.6 tt -121.15 129.39 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.039 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.18 15.8 72.55 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.24 -1.5 84.54 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -128.92 148.45 50.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.937 0.398 . . . . 0.0 110.781 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.32 151.33 23.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 82' ' ' LEU . 4.6 mp -93.34 153.86 18.31 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.592 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -122.58 100.69 7.06 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.443 ' CG2' HG22 ' A' ' 69' ' ' VAL . 5.9 mm -100.89 132.02 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.694 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -150.53 144.06 25.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.017 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -78.26 140.85 38.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.4 t -147.26 143.77 28.37 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -97.21 15.71 21.95 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.023 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 51.7 t80 -49.63 129.95 20.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.989 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' A' ' 90' ' ' ARG . 14.3 ptp180 -96.25 150.08 36.72 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.96 146.36 82.4 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.584 2.189 . . . . 0.0 111.908 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -85.75 132.91 34.04 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.509 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -118.86 158.8 24.96 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 96' ' ' GLN . 66.0 m -48.81 105.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.455 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 95' ' ' LEU . 10.8 mp 40.75 -91.02 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 94' ' ' SER . 55.3 tt0 55.54 -101.1 0.12 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.643 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -73.87 63.28 0.89 Allowed 'General case' 0 CA--C 1.522 -0.105 0 CA-C-O 120.974 0.416 . . . . 0.0 110.629 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -163.23 -20.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -58.95 -48.32 81.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.403 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.72 -36.25 83.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.195 0.522 . . . . 0.0 110.35 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.53 -33.79 70.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.343 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 103' ' ' LYS . 75.3 t -37.96 -84.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.18 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.403 ' N ' HG12 ' A' ' 102' ' ' VAL . 68.4 mttm -146.86 33.67 0.92 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.167 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -100.52 -63.01 1.17 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.88 -40.55 96.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.36 -36.89 84.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -85.8 19.64 2.44 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.023 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.8 ptt85 -57.2 -18.97 18.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.733 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.79 -25.96 68.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.447 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.7 tt -53.29 -26.45 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.603 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.45 -45.45 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.219 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 71.1 m -133.93 137.12 44.69 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.842 0.354 . . . . 0.0 110.481 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.504 ' O ' ' ND2' ' A' ' 114' ' ' ASN . 33.6 mmtp -94.09 -3.19 51.61 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.19 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 113' ' ' LYS . 22.8 m120 -152.23 -160.46 1.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.588 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 56.6 t30 64.16 -71.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.698 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' ASN . . . -61.51 -40.59 95.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.556 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -101.03 129.25 46.85 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.39 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.449 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -84.72 167.77 15.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.469 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -100.71 148.7 35.37 Favored Pre-proline 0 CA--C 1.539 0.519 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.8 163.41 38.98 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.739 2.292 . . . . 0.0 111.92 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.415 ' O ' ' OE1' ' B' ' 308' ' ' GLU . . . 53.85 58.84 12.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -70.11 152.24 67.42 Favored 'Trans proline' 0 C--N 1.301 -1.961 0 C-N-CA 122.802 2.335 . . . . 0.0 111.882 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . 0.499 ' N ' ' OE1' ' B' ' 308' ' ' GLU . 13.8 pm0 -149.18 175.84 11.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.649 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -128.1 124.94 38.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.923 0.392 . . . . 0.0 110.623 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -94.75 -6.43 43.07 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.421 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.726 ' CD1' HD21 ' A' ' 67' ' ' LEU . 13.1 m-85 -75.91 -168.81 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.104 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -160.74 46.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.491 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 28.6 mm -63.45 128.69 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.291 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . 0.541 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.2 mpt? -77.86 150.34 78.31 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.49 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.68 160.06 49.83 Favored 'Trans proline' 0 N--CA 1.502 1.972 0 C-N-CA 122.759 2.306 . . . . 0.0 111.956 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -121.01 167.55 14.02 Favored Glycine 0 N--CA 1.47 0.92 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 89.6 p -63.38 -30.2 71.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -68.42 -15.69 63.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.49 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.596 ' O ' HG23 ' A' ' 29' ' ' THR . 20.9 t90 -61.22 -25.54 67.13 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.386 0.612 . . . . 0.0 111.267 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.48 2.83 0.1 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 71.88 19.24 78.1 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 69.9 t -69.73 145.09 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.514 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -69.27 137.1 52.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.46 146.02 41.58 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.041 0.448 . . . . 0.0 109.86 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 53.5 m -135.19 141.36 45.84 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.314 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -102.39 -20.8 14.43 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . 163.43 -179.82 38.31 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -22.45 65.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.462 ' OE1' ' NE1' ' B' ' 332' ' ' TRP . 78.6 mm-40 -55.03 -21.07 10.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.775 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -57.91 -19.85 32.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.695 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.544 ' CG ' ' H ' ' B' ' 332' ' ' TRP . 0.1 OUTLIER -59.65 -61.3 2.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.31 -179.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . 0.544 ' H ' ' CG ' ' B' ' 331' ' ' LYS . 62.9 p-90 -72.81 -24.41 60.91 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.027 0.442 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -67.89 -46.78 70.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.766 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.82 87.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.636 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -60.56 -42.41 96.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.498 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -63.04 -42.05 99.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.295 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -72.62 -27.94 62.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.338 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.91 -40.39 97.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.574 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.61 102.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.246 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -134.83 138.97 44.7 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.576 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.87 143.75 34.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.495 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.623 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.28 96.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.607 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 68.2 mtm 46.99 50.16 14.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.507 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.53 63.99 0.61 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.42 -7.46 59.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.681 0.276 . . . . 0.0 110.368 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -73.85 -146.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.481 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' A' ' 8' ' ' LYS . 45.3 m-85 56.87 24.01 8.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 7' ' ' TYR . 63.2 mttp 56.33 154.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -81.67 151.25 27.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.651 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -78.34 70.65 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . . . -81.12 154.18 26.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.689 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.427 ' O ' HG22 ' A' ' 87' ' ' THR . 12.1 m-85 -138.62 153.42 48.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.701 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 13' ' ' ILE . 2.8 mt -100.57 118.89 47.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -73.73 109.65 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.063 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.3 mt -110.76 111.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.64 177.12 19.92 Favored Glycine 0 N--CA 1.469 0.845 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 44.4 t30 55.58 38.96 30.88 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.785 0.326 . . . . 0.0 110.266 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.93 155.39 18.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -69.75 125.39 26.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.324 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -57.06 -18.21 13.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.48 -30.67 70.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.259 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.86 133.44 46.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.415 ' H ' ' HB2' ' A' ' 26' ' ' ASP . 61.0 p -105.52 -178.11 3.56 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.465 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -59.9 -47.14 86.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.205 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -37.41 94.63 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 30' ' ' VAL . 97.9 m-20 -62.11 -40.2 95.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.722 0.296 . . . . 0.0 110.505 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.89 -43.62 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.076 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 32' ' ' SER . 20.7 mt -57.4 -49.68 75.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.495 HG23 ' O ' ' B' ' 319' ' ' TRP . 60.7 m -61.11 -41.01 95.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 111.205 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 26' ' ' ASP . 78.6 t -62.72 -47.97 90.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.393 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -89.39 -15.43 33.28 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.5 p -47.37 -57.85 4.82 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.567 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -67.16 -12.29 59.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.232 0.539 . . . . 0.0 111.424 -179.344 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.507 ' CE1' ' OD1' ' A' ' 71' ' ' ASN . 54.5 m-85 -110.66 34.64 3.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.997 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.01 69.52 0.96 Allowed Glycine 0 C--N 1.339 0.73 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.155 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.2 p -55.47 123.01 48.04 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.914 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.1 160.83 36.2 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 123.239 2.626 . . . . 0.0 111.946 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.39 -0.32 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -167.12 143.27 4.32 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.53 124.78 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.402 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.9 mt -109.85 120.4 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.9 mt -104.8 132.07 51.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.632 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -70.82 123.53 22.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.363 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -159.76 154.9 25.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.673 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 49' ' ' GLY . 67.5 t0 -88.59 112.43 23.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.447 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -59.65 -27.44 66.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.63 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.4 -40.79 98.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.546 HG23 ' N ' ' A' ' 49' ' ' GLY . 6.4 t -135.33 -45.92 0.7 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.035 0.445 . . . . 0.0 111.042 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 97.5 50.25 1.72 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -62.08 -169.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.854 0.359 . . . . 0.0 110.669 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -61.15 148.82 39.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -84.06 -93.13 0.07 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.57 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' PHE . . . 93.36 -9.85 73.89 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 53' ' ' GLY . 21.3 m-85 -142.75 148.9 37.97 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 122.757 -0.26 . . . . 0.0 110.512 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.03 147.15 26.77 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.983 0.421 . . . . 0.0 110.615 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -138.89 120.83 15.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.108 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -117.49 141.86 47.85 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.679 0.276 . . . . 0.0 110.53 -179.408 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.8 tttp -92.32 126.19 37.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.41 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 28.4 p90 -104.39 159.82 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.694 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -76.84 -43.68 35.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.024 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 67.4 m-20 -125.67 150.62 47.47 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.985 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.496 ' NE2' ' H ' ' A' ' 62' ' ' GLN . 3.9 mp0 -64.94 -18.24 65.06 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.966 0.412 . . . . 0.0 110.404 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -59.07 -32.54 69.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.079 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 t -61.02 -39.99 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.65 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 69' ' ' VAL . 56.5 p -64.86 -46.79 80.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.33 -42.91 92.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.54 HD21 ' HD1' ' B' ' 311' ' ' PHE . 25.1 mt -64.93 -60.68 2.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.475 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.49 -38.97 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.475 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 65' ' ' THR . 52.2 t -59.26 -68.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.792 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -64.26 -20.37 66.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.949 0.404 . . . . 0.0 111.965 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.507 ' OD1' ' CE1' ' A' ' 34' ' ' TYR . 6.3 m120 -82.19 -33.06 29.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.022 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.4 mt -114.42 -0.88 13.63 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.962 0.411 . . . . 0.0 111.58 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 21.9 t-20 -76.32 110.25 10.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.236 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.45 -0.73 55.72 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.536 ' CE2' ' CG1' ' A' ' 77' ' ' ILE . 10.0 t80 -95.26 121.91 37.4 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.16 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -83.26 138.32 33.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.351 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.536 ' CG1' ' CE2' ' A' ' 75' ' ' PHE . 78.7 mt -137.24 123.54 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.526 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.65 19.27 77.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.57 -10.75 72.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -116.82 143.21 45.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.837 0.351 . . . . 0.0 110.562 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.528 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -94.4 121.53 36.02 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.758 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.557 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.0 154.24 33.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.942 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -114.03 120.28 40.07 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.904 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 mm -107.04 116.13 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -149.61 144.81 26.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -71.04 144.38 50.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.485 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 12' ' ' TYR . 1.8 t -140.03 139.45 35.98 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.912 0.387 . . . . 0.0 110.58 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -88.83 1.49 55.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.195 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -50.23 127.05 16.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.294 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -107.66 150.46 40.21 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' LYS . 65.1 Cg_exo -50.65 133.72 38.99 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 123.187 2.591 . . . . 0.0 111.689 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 91' ' ' PRO . 48.4 mmtt 52.61 102.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -47.15 121.78 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.319 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.4 ' C ' HD22 ' A' ' 95' ' ' LEU . 50.4 m -157.24 123.17 4.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.679 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.3 mm? -100.67 132.57 45.99 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.981 0.42 . . . . 0.0 110.169 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -99.02 141.97 31.09 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.619 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 54.52 53.84 10.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.622 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -146.04 13.81 1.3 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.392 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -57.61 -32.87 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.561 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.0 -31.99 67.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.447 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.6 78.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.17 135.13 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt 65.21 43.68 3.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -166.76 -57.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.405 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.77 -43.75 97.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.348 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -78.32 -29.23 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.669 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -99.21 17.59 19.61 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.803 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -62.29 -22.91 66.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.416 ' OD1' ' OG ' ' A' ' 112' ' ' SER . 23.6 t70 -97.59 12.6 32.97 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.89 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 111' ' ' VAL . 10.9 tp -67.72 -36.66 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.419 ' N ' HG23 ' A' ' 110' ' ' ILE . 72.3 t -65.99 -46.37 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.416 ' OG ' ' OD1' ' A' ' 109' ' ' ASP . 85.6 p -72.27 -26.19 61.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 53.77 30.76 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 51.83 40.71 28.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.567 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -145.96 0.33 0.83 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.673 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 60.47 147.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 118' ' ' LYS . 24.6 pt-20 -68.82 -22.32 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.646 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 117' ' ' GLU . 39.1 tptt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.62 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 91.0 t80 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.42 150.66 43.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.439 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' B' ' 305' ' ' PRO . 24.1 pttm -60.79 145.23 88.7 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' B' ' 304' ' ' LYS . 51.7 Cg_exo -47.94 -177.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 123.216 2.611 . . . . 0.0 111.861 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -70.01 151.06 96.22 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.79 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.62 150.05 68.54 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.983 2.455 . . . . 0.0 112.153 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.95 143.95 28.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.444 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' B' ' 311' ' ' PHE . 0.9 OUTLIER -167.95 159.74 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.507 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -89.27 -14.27 36.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.657 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.54 ' HD1' HD21 ' A' ' 67' ' ' LEU . 26.2 m-85 -131.05 158.28 40.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.493 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -88.56 35.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.17 113.08 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.301 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 21.8 ptp -92.05 154.36 43.35 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.379 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -54.65 139.01 76.57 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 123.134 2.556 . . . . 0.0 112.189 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -88.81 173.57 41.77 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 87.6 p -71.76 -22.83 61.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.672 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -70.28 -10.49 59.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.631 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.8 t90 -61.34 -17.01 51.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.712 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 15.3 t0 60.45 -12.29 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.631 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 83.84 12.53 77.11 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.416 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 24.6 t -62.19 150.46 8.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.839 0.352 . . . . 0.0 110.326 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -65.55 145.63 55.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.597 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' A' ' 33' ' ' GLU . 39.2 ptt180 -137.58 156.23 48.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.724 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 35.8 t -124.36 124.08 41.59 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.92 0.39 . . . . 0.0 110.773 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -167.86 136.7 2.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.591 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -168.46 16.77 0.07 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -63.86 -46.99 82.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.593 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -65.26 -21.09 66.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.709 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -50.28 -34.54 23.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.525 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 21.0 pttp -58.18 -41.57 84.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.5 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . 0.47 ' O ' ' OE1' ' B' ' 336' ' ' GLN . 86.8 t90 -62.62 -48.35 79.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.29 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -63.48 -38.73 92.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.302 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.6 89.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.299 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -62.75 -42.36 99.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.23 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . 0.615 ' O ' HG22 ' B' ' 339' ' ' ILE . 3.3 mp0 -61.79 -36.54 81.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.602 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' B' ' 340' ' ' ASN . 61.4 t30 -80.23 -43.2 21.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.05 0.452 . . . . 0.0 111.227 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' B' ' 340' ' ' ASN . 86.9 tt0 -64.39 -37.59 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . 0.615 HG22 ' O ' ' B' ' 336' ' ' GLN . 15.5 tt -39.38 -26.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.768 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' B' ' 338' ' ' GLU . 24.6 p30 -153.84 176.71 11.84 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -175.52 -22.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.64 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 82.8 tttt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.369 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.3 136.58 58.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.841 0.353 . . . . 0.0 110.674 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.6 mtt -86.07 142.78 28.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.643 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.97 76.53 0.06 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 57.37 35.32 25.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 110.402 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.81 -38.74 89.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.675 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -125.13 154.41 41.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -115.71 153.54 31.18 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.704 0.288 . . . . 0.0 110.79 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -121.57 106.6 11.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.291 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.44 ' O ' ' OD1' ' A' ' 10' ' ' ASN . 10.4 p30 -72.9 77.8 1.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.48 148.14 24.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.609 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -127.6 140.17 52.28 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.946 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -121.58 143.91 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -91.63 119.4 31.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.9 mt -109.3 106.0 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.92 175.41 25.18 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 59.53 46.36 12.23 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -85.51 137.71 32.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.116 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.502 ' HB2' HD23 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -86.79 160.03 18.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.964 0.411 . . . . 0.0 110.693 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' CZ ' ' NE2' ' A' ' 52' ' ' GLN . 85.7 mmt-85 -70.33 -40.27 74.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.759 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' OE2' ' OD1' ' A' ' 19' ' ' ASN . 17.5 pm0 -68.23 -21.74 64.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.03 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.502 HD23 ' HB2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -61.38 114.4 3.18 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.328 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -101.67 170.92 7.86 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.827 0.346 . . . . 0.0 110.504 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.4 mp0 -62.91 -40.65 98.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.383 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.51 -41.96 99.66 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.88 -43.81 98.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.636 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.97 -43.83 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.355 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 32' ' ' SER . 8.8 mt -57.16 -44.5 83.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.287 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 319' ' ' TRP . 84.7 m -60.15 -40.14 88.82 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.16 0.505 . . . . 0.0 110.742 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 53.4 t -60.88 -48.29 89.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.433 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -87.72 -14.64 39.25 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.905 0.383 . . . . 0.0 111.769 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' LEU . 70.8 p -44.39 -60.23 2.04 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.516 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 87.4 tt0 -67.47 -35.99 80.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.567 . . . . 0.0 111.776 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.483 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 3.1 m-85 -86.32 34.28 0.63 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.177 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.96 74.53 1.15 Allowed Glycine 0 CA--C 1.527 0.837 0 C-N-CA 120.012 -1.089 . . . . 0.0 112.041 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.3 p -53.94 112.96 4.31 Favored Pre-proline 0 CA--C 1.547 0.85 0 CA-C-O 121.111 0.482 . . . . 0.0 110.843 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.99 159.0 27.17 Favored 'Trans proline' 0 N--CA 1.504 2.137 0 C-N-CA 123.764 2.976 . . . . 0.0 111.699 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 38' ' ' VAL . 23.7 m -92.5 -25.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.747 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -156.39 143.9 19.23 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.644 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.453 HG13 HD12 ' A' ' 57' ' ' LEU . 94.8 t -129.21 131.96 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.8 114.81 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tp -112.9 101.44 9.5 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.697 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.8 t -67.49 141.06 57.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.384 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -139.88 135.31 32.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 22.0 p-10 -50.16 111.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.58 -46.54 8.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.469 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -103.88 -60.52 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.557 HG23 ' N ' ' A' ' 49' ' ' GLY . 9.9 t -133.15 -45.86 0.84 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.557 ' N ' HG23 ' A' ' 48' ' ' THR . . . 91.5 149.01 23.04 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -136.2 109.97 8.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.804 0.335 . . . . 0.0 110.664 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.9 t 54.77 69.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.419 ' HG2' ' H ' ' A' ' 53' ' ' GLY . 5.2 tt0 -71.65 168.58 17.4 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.413 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' H ' ' HG2' ' A' ' 52' ' ' GLN . . . 107.46 40.81 1.71 Allowed Glycine 0 N--CA 1.467 0.726 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -149.45 158.14 43.91 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.824 0.345 . . . . 0.0 110.741 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.29 153.52 25.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -109.72 127.43 54.6 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.986 0.422 . . . . 0.0 109.991 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.453 HD12 HG13 ' A' ' 40' ' ' VAL . 2.2 tp -110.25 130.66 55.51 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.849 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -93.83 110.97 22.6 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 120.879 0.371 . . . . 0.0 110.038 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' OG ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -100.29 133.06 45.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -70.38 -41.22 73.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.547 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' OG ' ' A' ' 64' ' ' SER . 89.9 m-20 -120.29 138.41 53.7 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.846 0.355 . . . . 0.0 110.806 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -68.46 -33.92 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.5 mtm-85 -61.5 -35.1 76.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.006 0.431 . . . . 0.0 111.178 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.514 ' OG ' ' CD1' ' A' ' 59' ' ' TYR . 93.2 p -59.4 -32.93 70.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.181 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.702 ' O ' HG23 ' A' ' 69' ' ' VAL . 69.6 p -59.07 -30.55 68.15 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.588 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.43 -41.81 91.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.148 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.522 HD21 ' CD1' ' B' ' 311' ' ' PHE . 30.2 mt -62.8 -52.12 64.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.65 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.51 98.99 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 121.02 0.438 . . . . 0.0 111.857 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 65' ' ' THR . 70.0 t -57.56 -65.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.513 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.99 -18.8 61.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.89 0.376 . . . . 0.0 111.996 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -87.62 -42.82 12.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 72' ' ' LEU . 4.4 mm? -95.57 -18.27 20.73 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.042 0.449 . . . . 0.0 111.82 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 23.7 t-20 -58.62 118.36 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.722 0.296 . . . . 0.0 110.356 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.19 0.27 89.52 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -78.24 132.93 37.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -90.56 109.47 20.62 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 80' ' ' ARG . 4.9 tt -123.86 143.78 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.601 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.97 -130.21 43.3 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.33 -72.15 1.02 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ILE . 2.7 mpp_? -102.23 167.07 10.23 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.892 0.377 . . . . 0.0 110.076 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.15 110.21 12.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.636 ' N ' HD23 ' A' ' 82' ' ' LEU . 1.7 pt? -50.22 144.66 6.91 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.464 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -108.39 127.92 54.31 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.062 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mm -104.06 125.15 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.793 0.33 . . . . 0.0 110.198 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 42.0 t0 -151.29 147.39 26.9 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.611 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 37.3 m170 -78.96 147.15 33.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.563 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.2 t -154.68 135.28 13.48 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.624 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -87.8 14.45 8.65 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.38 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -49.98 126.08 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.402 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 ptt85 -75.24 148.47 83.85 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.128 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.24 154.9 69.09 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 123.232 2.621 . . . . 0.0 111.981 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -61.12 162.77 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.443 ' HD3' ' H ' ' A' ' 93' ' ' ARG . 1.0 OUTLIER -60.33 -38.19 82.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.41 -179.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.2 t 59.25 -120.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.678 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tp -104.9 28.4 7.2 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.738 0.304 . . . . 0.0 110.662 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -91.69 -83.0 0.29 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.648 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -64.68 -24.05 67.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.96 0.41 . . . . 0.0 110.48 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.15 -36.07 74.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -52.88 -47.16 68.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.379 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -70.71 -33.45 70.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.459 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.81 88.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.55 -31.75 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.438 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -60.74 -43.38 97.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.084 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -154.02 120.95 5.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.5 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' A' ' 105' ' ' GLU . 12.2 pm0 -119.02 -117.98 0.32 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.9 0.381 . . . . 0.0 110.132 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.405 ' H ' ' CG ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -63.3 -3.86 2.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.207 179.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.42 -18.08 63.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.54 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -81.2 128.09 33.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 55.16 51.88 12.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.4 pt -53.07 -15.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.5 t -74.04 123.23 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.664 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.3 m -97.79 -170.22 1.96 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.575 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm 59.73 22.05 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.517 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 58.0 26.84 13.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.53 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.6 t30 51.66 40.1 26.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 51.69 33.44 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 52.21 39.54 27.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.64 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.479 179.869 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -79.0 163.2 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.678 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -101.82 148.99 36.09 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . 0.607 ' O ' ' HB3' ' B' ' 306' ' ' ALA . 38.2 Cg_endo -66.55 163.61 32.01 Favored 'Trans proline' 0 N--CA 1.503 2.07 0 C-N-CA 123.257 2.638 . . . . 0.0 111.788 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' B' ' 305' ' ' PRO . . . 77.05 90.14 0.06 OUTLIER Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.471 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.83 159.95 3.27 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 123.235 2.624 . . . . 0.0 112.07 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -44.13 134.23 4.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.749 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -134.17 160.99 36.15 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.841 0.353 . . . . 0.0 110.607 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . 0.8 ' H ' ' HE ' ' B' ' 310' ' ' ARG . 0.3 OUTLIER -62.2 -40.1 94.94 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.591 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.522 ' CD1' HD21 ' A' ' 67' ' ' LEU . 28.5 m-85 -111.58 -176.7 3.0 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.741 0.305 . . . . 0.0 110.415 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -125.07 35.77 4.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.739 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 67' ' ' LEU . 83.6 mt -93.08 121.76 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.846 0.355 . . . . 0.0 110.139 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 11.2 ptp -77.24 150.54 80.45 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.621 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.02 165.01 33.96 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 123.331 2.687 . . . . 0.0 111.98 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -120.91 165.19 14.06 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . 0.438 ' C ' ' H ' ' B' ' 319' ' ' TRP . 38.9 t -61.3 -42.99 99.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 110.586 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -54.76 -9.33 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.374 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.596 ' C ' ' H ' ' B' ' 321' ' ' GLY . 18.8 t90 -62.67 -15.03 50.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.452 0.644 . . . . 0.0 111.359 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 22.3 t0 56.93 -5.03 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 81.24 7.83 87.96 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.544 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 68.8 t -88.82 121.29 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.819 0.342 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' B' ' 323' ' ' HIS . 36.5 p-80 -101.19 123.31 45.13 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -133.1 106.38 7.59 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 83.0 p -158.83 160.41 36.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.541 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.523 ' C ' HD22 ' B' ' 326' ' ' ASN . 0.1 OUTLIER -146.65 -137.92 0.09 Allowed 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.944 0.402 . . . . 0.0 110.482 -179.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . 98.72 152.12 27.46 Favored Glycine 0 N--CA 1.465 0.573 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' B' ' 329' ' ' GLU . 20.8 p90 -77.32 -46.78 21.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.663 0.268 . . . . 0.0 110.619 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.554 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 15.2 tm-20 -62.35 -30.69 71.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.962 0.411 . . . . 0.0 110.81 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.87 -30.51 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.72 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -50.16 -29.21 8.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.447 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -61.11 -49.01 79.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.306 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.91 -43.23 93.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.0 110.268 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.69 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -39.6 86.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.554 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -62.26 -41.57 98.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.162 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -66.11 -37.61 86.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.312 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.21 -39.17 85.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.19 121.71 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.508 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 341' ' ' GLU . 18.8 p30 -147.82 -29.04 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.674 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' B' ' 340' ' ' ASN . 15.6 tm-20 -172.17 97.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.389 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 60.6 mttm . . . . . 0 C--O 1.218 -0.565 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.712 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.99 143.37 27.23 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.82 0.343 . . . . 0.0 110.577 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 78.2 mtm -101.31 8.89 42.19 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.08 174.27 40.78 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 p30 -130.76 34.34 4.12 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.83 -0.218 . . . . 0.0 110.711 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 56.73 30.94 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.632 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 48.26 28.54 1.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.749 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -79.85 74.36 6.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.268 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -146.67 136.13 22.9 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.842 0.353 . . . . 0.0 110.796 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' OD1' ' A' ' 10' ' ' ASN . 11.2 p30 -76.74 78.61 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.639 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.766 ' HB1' ' CZ ' ' A' ' 59' ' ' TYR . . . -83.65 115.37 22.13 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.398 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 11' ' ' ALA . 60.9 m-85 -158.14 146.48 18.8 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.11 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.434 ' C ' ' OG1' ' A' ' 87' ' ' THR . 2.3 mt -108.48 129.08 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 120.863 0.363 . . . . 0.0 110.044 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.523 ' N ' ' OG1' ' A' ' 87' ' ' THR . 40.9 t80 -74.87 118.96 18.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.118 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.625 HD11 HD21 ' A' ' 57' ' ' LEU . 51.4 mt -118.45 112.19 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.85 174.61 19.78 Favored Glycine 0 N--CA 1.471 1.011 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 55.65 38.86 30.7 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.825 0.345 . . . . 0.0 110.71 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -104.12 157.85 16.84 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 110.244 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 78' ' ' GLY . 8.4 m-20 -83.34 137.65 33.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.466 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -65.34 -20.23 66.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.511 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.37 -30.55 70.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.363 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' LEU . 10.9 mp -69.01 130.84 43.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.472 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -99.65 179.8 4.43 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.36 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.99 -39.92 91.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.86 99.72 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 30' ' ' VAL . 99.1 m-20 -61.19 -44.12 97.79 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.859 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.43 -43.7 98.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.136 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD13 ' NH2' ' B' ' 318' ' ' ARG . 32.1 mt -62.9 -44.52 95.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.458 HG23 ' O ' ' B' ' 319' ' ' TRP . 99.3 m -62.52 -41.47 98.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.947 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 26' ' ' ASP . 79.6 t -64.36 -48.11 86.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.53 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -82.97 -12.36 57.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.601 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.5 p -43.16 -57.09 3.1 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.48 -38.44 74.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.172 0.51 . . . . 0.0 111.556 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CD1' ' OD1' ' A' ' 71' ' ' ASN . 23.5 m-85 -80.13 34.33 0.3 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.19 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.3 73.17 1.12 Allowed Glycine 0 N--CA 1.466 0.652 0 C-N-CA 119.994 -1.098 . . . . 0.0 111.358 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.9 p -52.24 108.98 1.21 Allowed Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 121.417 0.627 . . . . 0.0 110.792 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -60.67 156.01 45.06 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 123.2 2.6 . . . . 0.0 112.093 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.1 m -98.2 -10.49 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.371 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 54.6 t0 -158.43 139.55 13.17 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.768 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 42' ' ' LEU . 21.0 t -125.85 127.72 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 120.705 0.288 . . . . 0.0 110.395 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.3 mt -107.82 114.6 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.079 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 40' ' ' VAL . 4.4 mp -116.98 130.1 56.47 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.647 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -62.16 155.31 24.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.164 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 50' ' ' GLU . 58.8 mtp180 -120.09 172.44 7.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.928 0.394 . . . . 0.0 110.938 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -48.26 151.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.637 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -61.9 -8.69 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.637 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.6 -42.24 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 49' ' ' GLY . 13.5 t -99.52 -43.18 6.61 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.152 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.535 ' N ' HG23 ' A' ' 48' ' ' THR . . . 150.12 -174.73 29.47 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 44' ' ' ARG . 78.4 mm-40 51.74 94.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.676 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.436 ' O ' ' CZ ' ' A' ' 54' ' ' PHE . 69.2 m -67.8 152.46 45.54 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -80.93 -178.51 6.89 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.784 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.19 -3.27 37.79 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CZ ' ' O ' ' A' ' 51' ' ' SER . 38.2 p90 -158.49 161.14 37.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.614 0.245 . . . . 0.0 110.901 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.447 ' O ' ' CD1' ' A' ' 56' ' ' TYR . . . -152.84 154.99 36.25 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.683 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.447 ' CD1' ' O ' ' A' ' 55' ' ' ALA . 10.9 m-85 -136.07 135.89 39.74 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.739 0.304 . . . . 0.0 110.691 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -133.56 144.19 49.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -91.84 127.81 37.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.766 ' CZ ' ' HB1' ' A' ' 11' ' ' ALA . 17.3 p90 -96.82 153.88 17.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.744 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.61 -40.81 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 67.3 m-20 -124.75 150.06 46.65 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.145 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -65.42 -34.33 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -58.2 -20.87 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.405 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.3 t -60.97 -40.75 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.869 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 69' ' ' VAL . 70.3 p -60.56 -42.32 96.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.707 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.16 -44.24 97.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.209 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.588 ' CD1' HD12 ' B' ' 313' ' ' ILE . 19.5 mt -65.13 -62.91 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.279 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.77 -40.9 42.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 65' ' ' THR . 52.9 t -61.97 -67.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.549 -0.461 . . . . 0.0 111.284 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.6 -22.26 66.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.968 0.413 . . . . 0.0 111.892 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' OD1' ' CD1' ' A' ' 34' ' ' TYR . 5.3 m120 -76.91 -48.62 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.55 18.9 19.84 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.867 0.365 . . . . 0.0 111.732 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.9 t30 -77.65 110.65 12.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.61 0.46 79.0 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -78.99 133.36 36.84 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.661 0.267 . . . . 0.0 110.342 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -94.18 133.55 37.57 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.545 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.8 mt -142.01 125.29 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . 73.32 15.66 78.87 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.42 -5.85 84.25 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -118.92 134.24 55.3 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.87 113.56 22.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.698 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -72.39 152.18 42.18 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.063 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -114.87 114.53 25.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 mm -98.37 123.69 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.843 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -154.34 156.61 37.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.303 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -63.21 133.0 53.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.245 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.523 ' OG1' ' N ' ' A' ' 14' ' ' TYR . 11.2 m -89.05 127.06 35.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.072 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -102.12 -10.86 19.29 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.33 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CE2' ' O ' ' A' ' 90' ' ' ARG . 75.3 t80 -75.6 135.51 40.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.658 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' O ' ' CE2' ' A' ' 89' ' ' TYR . 90.3 mtm180 -95.02 152.3 39.43 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.197 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 146.01 58.78 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 123.121 2.547 . . . . 0.0 112.163 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -62.73 -176.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.465 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 94' ' ' SER . 79.2 mtp180 56.08 -174.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.397 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 93' ' ' ARG . 15.8 m 57.97 154.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.669 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 95' ' ' LEU . 17.2 tp -134.11 51.11 2.15 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.438 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 97' ' ' LYS . 95.2 mm-40 42.45 58.6 3.01 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.471 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 96' ' ' GLN . 43.1 pttt 30.99 56.96 0.23 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.801 0.334 . . . . 0.0 110.433 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -55.24 -33.95 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.65 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.566 ' O ' HG22 ' A' ' 102' ' ' VAL . 62.2 t80 -51.05 -39.97 57.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.141 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.14 -31.07 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.975 0.417 . . . . 0.0 110.457 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 103' ' ' LYS . . . -59.69 -24.94 64.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.596 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 99' ' ' TYR . 17.0 m -48.77 -15.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.6 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 101' ' ' ALA . 25.8 pttm -152.64 152.56 31.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 48.48 58.68 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.093 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' ALA . 96.0 mt-10 -74.4 -32.58 62.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.618 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.01 -32.67 6.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.859 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -79.69 70.93 6.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.781 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -73.16 -30.81 63.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.5 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -105.13 108.04 19.34 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.485 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 24.2 mm -90.51 118.93 36.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.884 0.373 . . . . 0.0 110.238 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.07 -34.13 67.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.696 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 m 62.33 169.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 52.06 78.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.679 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -84.11 36.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.424 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.0 m120 56.4 38.09 29.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 44.3 34.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.635 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 51.08 -140.58 0.85 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.476 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.483 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.04 140.29 56.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.295 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -87.9 146.43 38.74 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -44.35 -68.55 0.1 OUTLIER 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 122.904 2.403 . . . . 0.0 112.009 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -173.35 148.87 1.6 Allowed Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -69.04 150.38 72.53 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.739 2.293 . . . . 0.0 112.085 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' B' ' 308' ' ' GLU . 14.1 pm0 -73.7 -23.83 59.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.674 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -77.97 128.41 33.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -72.78 -45.57 57.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.102 0.477 . . . . 0.0 110.456 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.455 ' CD2' HD21 ' A' ' 67' ' ' LEU . 91.8 m-85 -140.52 148.8 41.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.475 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -104.32 45.13 0.98 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . 0.588 HD12 ' CD1' ' A' ' 67' ' ' LEU . 95.8 mt -99.99 120.14 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 120.936 0.398 . . . . 0.0 110.538 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . 0.459 ' N ' ' SD ' ' B' ' 314' ' ' MET . 2.8 mpp? -90.97 151.89 43.78 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.215 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.79 150.79 68.52 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.959 2.439 . . . . 0.0 112.335 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -103.25 176.9 24.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 95.4 p -66.55 -28.1 68.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.974 0.416 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . 0.505 ' NH2' HD13 ' A' ' 28' ' ' LEU . 36.6 ttt180 -62.31 -18.99 62.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.76 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.585 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.0 t90 -60.28 -16.6 35.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.165 0.507 . . . . 0.0 111.182 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 35.7 t0 64.27 -31.96 0.13 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.194 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 106.9 10.64 27.96 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.18 135.1 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -69.96 143.28 52.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.705 ' NE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -138.94 152.48 47.75 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.197 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 66.5 m -130.13 147.94 51.92 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.767 0.318 . . . . 0.0 110.439 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' B' ' 326' ' ' ASN . 8.9 p-10 -127.83 -60.82 1.14 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.73 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -143.11 155.8 26.16 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.518 ' CE1' ' OE2' ' B' ' 329' ' ' GLU . 47.1 p90 -60.43 -26.54 66.81 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.766 0.317 . . . . 0.0 110.703 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.518 ' OE2' ' CE1' ' B' ' 328' ' ' PHE . 40.6 mp0 -58.85 -20.43 50.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.102 0.477 . . . . 0.0 110.553 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -51.24 -22.13 2.51 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.29 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.2 OUTLIER -51.97 -61.59 2.16 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.7 0.286 . . . . 0.0 111.555 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . 0.401 ' H ' ' HG3' ' B' ' 331' ' ' LYS . 33.2 p-90 -79.93 -23.34 41.8 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.187 0.518 . . . . 0.0 111.093 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.73 -29.83 61.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.51 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.48 94.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.455 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.87 -45.09 75.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.142 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -67.1 -19.96 65.72 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.414 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -83.57 -43.13 16.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.733 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -78.54 -47.35 17.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 58.8 mt 45.1 72.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.429 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -84.65 161.17 20.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.71 152.32 39.41 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.568 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.409 ' N ' ' CD ' ' B' ' 342' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.218 -0.559 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.33 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.76 139.04 58.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.346 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.8 mmt -99.5 95.73 7.2 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.482 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.8 -71.91 1.03 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.3 m120 58.25 30.91 20.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -89.44 151.13 22.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.55 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -68.34 123.31 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.512 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -174.32 -73.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.999 0.428 . . . . 0.0 110.718 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -87.36 74.78 9.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.415 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.453 ' O ' ' OD1' ' A' ' 10' ' ' ASN . 45.8 p-10 -82.78 137.2 34.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.825 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.606 ' H ' ' NE2' ' A' ' 62' ' ' GLN . . . -87.17 150.58 23.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.489 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -118.52 151.35 38.01 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.791 0.329 . . . . 0.0 110.761 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' CD1' HG22 ' A' ' 65' ' ' THR . 1.6 mt -106.61 124.27 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -85.74 128.72 34.87 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.627 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -124.03 130.67 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.28 174.85 22.3 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 54.95 37.9 29.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.918 0.39 . . . . 0.0 110.496 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.781 HD23 ' H ' ' A' ' 18' ' ' LEU . 2.0 pt? -88.9 147.02 24.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.318 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -63.69 141.83 58.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.744 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -61.28 -30.54 70.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.446 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.59 -32.11 65.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.78 117.32 3.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.524 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 26' ' ' ASP . 6.6 t -104.51 -176.96 3.23 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 110.317 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' OE2' HD11 ' A' ' 28' ' ' LEU . 15.8 tm-20 -61.13 -39.83 91.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.575 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -40.79 96.26 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 23' ' ' THR . 99.1 m-20 -62.01 -40.04 94.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.0 -45.29 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD11 ' OE2' ' A' ' 24' ' ' GLU . 13.0 mt -55.26 -47.67 75.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.605 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.5 m -61.77 -43.13 99.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.956 0.408 . . . . 0.0 111.253 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' ASP . 76.3 t -62.31 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -85.5 -13.14 49.98 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.507 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' LEU . 87.8 p -43.81 -62.32 1.15 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HB3' HH11 ' B' ' 324' ' ' ARG . 16.3 tm-20 -72.87 -33.83 66.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.174 0.512 . . . . 0.0 111.305 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -86.68 35.12 0.66 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.159 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.64 70.58 0.91 Allowed Glycine 0 CA--C 1.523 0.582 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.903 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.7 p -55.7 121.27 38.24 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.348 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.54 157.27 44.8 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 122.975 2.45 . . . . 0.0 112.111 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 38' ' ' VAL . 19.2 m -92.46 -24.3 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.849 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -169.2 153.12 5.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.543 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 m -137.64 149.28 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.102 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -110.61 119.81 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.724 0.297 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -112.68 99.27 7.81 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.5 m -80.52 136.65 36.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.52 ' NH2' ' H ' ' A' ' 50' ' ' GLU . 50.9 ttt-85 -153.92 130.19 10.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.284 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -88.09 109.94 20.26 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.576 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -68.7 -14.73 63.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -61.8 -43.07 99.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.776 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 49' ' ' GLY . 14.5 t -131.21 -38.56 1.21 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.573 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' N ' HG23 ' A' ' 48' ' ' THR . . . 78.86 -159.94 46.27 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' H ' ' NH2' ' A' ' 44' ' ' ARG . 93.5 mt-10 56.6 55.54 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 110.7 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.1 p -72.15 168.22 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -66.91 -11.63 56.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.422 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.86 29.87 19.5 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -89.36 141.39 28.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.941 0.401 . . . . 0.0 110.384 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.36 155.54 41.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -112.26 123.49 50.4 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.89 0.376 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD23 HD12 ' A' ' 13' ' ' ILE . 1.3 tp -95.72 138.13 33.8 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.7 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -127.54 106.97 9.54 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.776 0.322 . . . . 0.0 111.032 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.553 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 7.0 t80 -117.72 142.88 46.75 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.266 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 15.2 tm-20 -55.25 -52.41 63.48 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.458 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -86.14 112.61 21.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 0.0 110.492 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.606 ' NE2' ' H ' ' A' ' 11' ' ' ALA . 85.8 mt-30 -78.13 -20.05 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -68.96 -34.75 75.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.009 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.2 t -58.36 -38.7 77.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.952 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 69' ' ' VAL . 23.8 p -48.21 -26.98 2.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.577 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.0 mt -60.27 -47.9 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.312 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.688 HD21 ' CD1' ' B' ' 311' ' ' PHE . 5.0 mp -66.8 -45.74 77.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.062 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.87 78.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.949 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 98.8 t -65.05 -53.68 38.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.157 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -64.81 -14.93 60.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.737 0.304 . . . . 0.0 111.685 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 24.5 m120 -105.54 -22.67 12.95 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.6 mt -113.36 -7.59 13.48 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.923 0.392 . . . . 0.0 111.315 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 28.9 t-20 -76.19 113.58 13.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 110.432 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.25 3.75 89.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -80.11 123.43 27.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.466 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -72.81 121.81 20.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.12 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 77' ' ' ILE . 14.7 tt -139.45 125.94 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.37 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.03 17.81 75.9 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.82 3.62 80.03 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -125.88 153.15 44.59 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.045 0.45 . . . . 0.0 110.487 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.51 144.24 30.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 mt -88.8 140.58 29.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.869 0.366 . . . . 0.0 110.694 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -131.06 113.92 14.53 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.441 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 50.0 mt -134.94 142.26 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.578 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 84' ' ' ILE . 80.4 m-20 -147.11 157.12 43.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.961 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.19 132.13 35.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.985 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.7 t -137.72 140.37 40.67 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.055 0.455 . . . . 0.0 110.329 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -98.81 15.26 25.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -43.6 117.94 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.08 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -94.18 152.48 40.33 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.31 163.79 30.66 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.997 2.465 . . . . 0.0 111.785 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -55.98 -62.13 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.332 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? 48.48 23.85 0.66 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.486 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t 72.37 51.68 0.18 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.97 45.47 1.3 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 120.846 0.355 . . . . 0.0 110.219 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.52 -39.88 94.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -111.94 128.14 56.07 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.692 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -149.56 116.04 5.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.463 ' O ' HG12 ' A' ' 102' ' ' VAL . 64.5 t80 -165.39 -64.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.737 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 100' ' ' GLU . 20.9 pm0 -62.32 -19.98 63.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.97 -7.91 55.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.536 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 104' ' ' GLU . 7.6 p -62.88 129.24 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.662 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 88.6 tttt 38.81 -92.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 102' ' ' VAL . 77.0 mm-40 -66.32 108.66 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.66 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -94.74 -112.32 0.12 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.194 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.53 -11.35 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.987 0.422 . . . . 0.0 110.126 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -55.17 142.28 31.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.645 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -129.91 -33.86 1.75 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.645 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -83.76 179.91 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.513 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 37.2 pt -139.18 164.23 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.745 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 111' ' ' VAL . 17.7 m -93.57 -174.79 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.544 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.8 t 57.71 -123.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.403 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -63.3 140.63 58.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.374 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -137.94 161.35 36.9 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.625 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 45.1 p30 -74.92 -2.65 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.17 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.408 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -149.86 3.25 0.54 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.587 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.519 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' B' ' 303' ' ' ASP . 50.6 p-10 -75.0 139.81 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.491 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -78.41 148.81 74.51 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.157 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.21 146.6 70.4 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.827 2.351 . . . . 0.0 112.124 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' B' ' 307' ' ' PRO . . . -61.57 -50.69 81.39 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.755 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' B' ' 306' ' ' ALA . 68.8 Cg_exo -47.39 134.93 20.48 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.795 2.33 . . . . 0.0 111.94 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' B' ' 308' ' ' GLU . 14.5 pm0 -85.12 -15.84 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.721 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 24.5 p30 -73.19 138.15 45.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.499 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . 0.521 ' NH2' ' CH2' ' B' ' 332' ' ' TRP . 63.9 mmt-85 -61.61 -39.03 89.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.755 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.688 ' CD1' HD21 ' A' ' 67' ' ' LEU . 60.3 m-85 -131.11 -169.48 2.18 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.806 0.336 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -135.47 48.81 2.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 87.6 mt -97.06 118.68 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.437 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.3 mpt? -89.39 148.72 41.15 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.222 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.62 161.17 47.0 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.991 2.461 . . . . 0.0 112.283 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -117.0 168.21 12.76 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 95.2 p -63.7 -35.59 81.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -59.41 -12.06 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.572 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.0 t90 -60.38 -11.65 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.225 0.536 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 55.95 -1.06 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.929 0.395 . . . . 0.0 111.174 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 75.84 10.76 84.96 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.519 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 53.1 t -65.61 139.62 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.672 0.272 . . . . 0.0 110.294 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -79.0 111.83 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.226 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.587 ' O ' ' NE ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -138.52 114.52 10.09 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 94.3 p -150.71 163.0 39.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.313 . . . . 0.0 110.606 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -84.4 -168.01 2.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.665 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -133.28 -41.95 0.17 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -60.37 -49.75 76.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.786 0.327 . . . . 0.0 110.741 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.88 -21.33 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.783 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -59.37 -49.56 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.718 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -70.0 -27.79 64.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.647 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . 0.594 ' CZ3' ' NE2' ' B' ' 336' ' ' GLN . 48.1 t90 -61.71 -48.66 79.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.426 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . 0.448 ' HA ' HE21 ' B' ' 336' ' ' GLN . 8.2 m-85 -67.53 -38.09 83.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.233 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.34 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.431 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -63.46 -41.72 98.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.623 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . 0.594 ' NE2' ' CZ3' ' B' ' 332' ' ' TRP . 35.1 mt-30 -59.8 -41.45 91.23 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.338 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -62.97 -40.03 96.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.268 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.4 -43.56 98.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.677 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 49.3 mm -69.29 -43.44 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.478 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -70.86 121.24 17.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -83.27 121.39 27.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.288 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.421 -179.814 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.56 142.34 53.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.595 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.8 tpt -80.9 128.52 33.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.11 -161.47 49.07 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 26.8 p30 -80.84 143.56 32.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.932 0.396 . . . . 0.0 110.354 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mp0 -64.88 -39.52 93.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -106.11 158.0 17.14 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.511 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.8 mttm 54.96 44.11 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -80.56 81.28 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.625 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -151.31 68.23 0.92 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.549 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.56 157.5 36.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.706 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -120.71 158.54 27.26 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.827 0.346 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -102.18 122.03 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -84.41 126.24 33.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.293 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.011 HD11 HD12 ' A' ' 57' ' ' LEU . 83.2 mt -118.89 121.71 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.29 167.47 23.43 Favored Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 61.44 41.48 12.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.003 0.43 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.49 143.16 26.65 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.175 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.42 ' HB3' HD13 ' A' ' 22' ' ' LEU . 49.9 t30 -65.42 138.34 58.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.372 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -61.05 -21.17 63.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -77.53 -28.43 51.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.545 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 19' ' ' ASN . 3.5 mp -65.92 117.67 8.63 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.328 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.1 p -96.64 173.68 7.21 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.385 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -60.08 -42.66 95.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.349 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.03 -40.12 98.49 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.3 m-20 -62.51 -40.68 97.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.886 0.374 . . . . 0.0 110.579 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.42 -41.63 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.155 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.79 -42.84 94.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.074 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.403 HG23 ' O ' ' B' ' 319' ' ' TRP . 29.4 m -63.62 -42.86 98.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.934 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' ASP . 87.6 t -65.33 -49.61 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -74.83 -14.22 60.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.231 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -43.77 -57.06 3.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.78 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.9 -39.79 69.32 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.218 0.532 . . . . 0.0 111.604 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' OH ' ' NE ' ' B' ' 324' ' ' ARG . 28.0 m-85 -79.49 33.7 0.25 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.002 -178.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.89 73.47 1.06 Allowed Glycine 0 C--N 1.341 0.84 0 C-N-CA 119.872 -1.156 . . . . 0.0 112.353 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.9 p -55.39 114.09 6.66 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-O 121.429 0.633 . . . . 0.0 109.88 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.79 159.97 41.37 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 123.577 2.851 . . . . 0.0 112.883 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.88 -14.53 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.37 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -158.94 147.94 18.61 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 t -137.4 128.4 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.466 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -114.95 115.89 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.902 0.382 . . . . 0.0 110.67 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.37 105.19 6.81 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.494 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -66.59 141.35 57.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.414 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -152.59 145.91 24.77 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.696 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' GLY . 98.4 m-20 -89.04 136.45 33.01 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.592 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -71.56 -31.98 67.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.938 0.399 . . . . 0.0 110.888 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -62.7 -41.38 99.09 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.377 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 p -106.02 -29.68 9.77 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.071 0.462 . . . . 0.0 110.927 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 92.04 8.58 63.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -156.94 161.52 39.63 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.747 0.308 . . . . 0.0 110.654 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.0 p -99.91 -146.12 0.34 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 110.442 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -84.2 -7.16 59.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.173 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.2 43.65 1.36 Allowed Glycine 0 CA--C 1.532 1.098 0 C-N-CA 121.236 -0.507 . . . . 0.0 112.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -138.33 155.25 48.74 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.782 0.325 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.34 158.46 34.36 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.649 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -115.85 145.27 43.0 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.7 0.286 . . . . 0.0 110.41 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.011 HD12 HD11 ' A' ' 15' ' ' ILE . 2.3 mt -121.77 147.93 45.3 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.424 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -129.46 107.94 9.88 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 120.864 0.364 . . . . 0.0 111.194 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.614 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 81.9 t80 -109.25 175.26 5.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.931 0.396 . . . . 0.0 110.007 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.614 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 99.6 mt-10 -75.09 -59.08 2.9 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -110.38 126.69 54.53 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.9 0.381 . . . . 0.0 111.073 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -55.36 -18.81 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.531 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -60.45 -35.47 75.93 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.448 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 94.2 p -61.66 -22.97 65.76 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.258 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' HG22 ' A' ' 69' ' ' VAL . 51.1 p -60.52 -26.55 66.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.35 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.94 -38.36 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.334 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.621 HD21 ' CD1' ' B' ' 311' ' ' PHE . 40.1 mt -68.59 -43.1 77.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.442 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.08 -51.09 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.933 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.633 HG23 ' N ' ' A' ' 70' ' ' ASP . 20.6 m -66.42 -51.3 59.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 111.801 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.633 ' N ' HG23 ' A' ' 69' ' ' VAL . 42.8 t0 -56.71 -12.49 1.89 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -116.47 -52.46 2.57 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.7 mm? -79.24 -10.36 59.8 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -74.45 109.86 8.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.908 0.385 . . . . 0.0 110.075 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.19 3.64 78.79 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' B' ' 325' ' ' SER . 35.9 t80 -78.48 128.28 33.35 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.4 126.81 32.08 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.163 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.41 HD12 HD13 ' A' ' 82' ' ' LEU . 30.4 mt -140.06 113.35 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.143 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.76 21.91 78.81 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.66 -10.87 73.63 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -112.78 147.65 36.45 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 122.554 -0.38 . . . . 0.0 110.329 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.48 139.92 32.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.611 0.243 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 77' ' ' ILE . 9.7 mp -81.48 145.24 30.83 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.45 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -123.27 100.7 6.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.737 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.529 ' CG2' HG12 ' A' ' 69' ' ' VAL . 4.4 mm -96.29 141.55 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.237 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -156.99 151.78 25.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.634 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -78.55 142.78 37.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.757 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.7 t -153.41 142.05 20.91 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.139 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.9 27.01 2.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.073 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -46.35 117.48 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.292 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -78.98 146.44 68.0 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.198 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.83 148.84 46.8 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 123.022 2.481 . . . . 0.0 112.026 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 64.6 tttp -80.8 129.59 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.375 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 92' ' ' LYS . 29.1 ttm-85 76.98 128.64 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.349 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.4 m -139.33 55.33 1.69 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.782 0.325 . . . . 0.0 110.761 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.35 -123.79 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 72.61 -52.0 0.7 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.823 0.344 . . . . 0.0 110.364 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -153.16 137.71 16.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.462 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -154.74 154.61 33.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.55 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -146.56 -40.12 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.152 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.73 1.04 7.44 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.932 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -108.82 14.67 24.11 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.523 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 87.0 t -108.59 -83.38 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.694 0.283 . . . . 0.0 111.312 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -61.35 -47.59 85.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.373 . . . . 0.0 110.92 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -62.88 -37.68 87.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -59.42 -40.54 87.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.389 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.2 tp -84.68 76.41 10.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' A' ' 109' ' ' ASP . 34.4 t70 -167.46 -110.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' N ' ' CG ' ' A' ' 107' ' ' ASP . 97.0 mtt-85 54.81 -81.28 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.591 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 107' ' ' ASP . 63.4 t0 -61.48 -39.1 89.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.42 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 mm -73.92 124.08 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.389 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.72 140.98 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 79.3 p -110.35 102.21 10.88 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.77 0.319 . . . . 0.0 110.786 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -165.18 136.8 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.531 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -141.13 114.27 8.59 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 110.725 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -85.14 68.61 10.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.212 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.46 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.793 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.11 135.27 49.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.725 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.659 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.16 139.75 58.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.703 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . 0.483 ' O ' ' O ' ' B' ' 305' ' ' PRO . 62.2 mttp -70.95 150.99 95.09 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . 0.483 ' O ' ' O ' ' B' ' 304' ' ' LYS . 68.1 Cg_exo -42.18 177.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 123.223 2.616 . . . . 0.0 112.077 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -54.5 138.58 59.96 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.29 151.79 60.62 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 123.136 2.557 . . . . 0.0 112.235 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -87.6 86.28 7.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.143 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.432 ' OD1' HD22 ' A' ' 67' ' ' LEU . 65.4 t30 -142.99 128.31 18.82 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.863 0.364 . . . . 0.0 110.781 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -66.16 -29.14 69.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.705 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.621 ' CD1' HD21 ' A' ' 67' ' ' LEU . 7.7 m-85 -83.84 -177.44 6.69 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -109.0 22.71 15.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.183 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . 0.542 HD12 ' CD1' ' A' ' 67' ' ' LEU . 77.6 mt -86.98 115.74 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 13.2 mmt -81.59 149.98 65.64 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.721 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.53 154.2 68.98 Favored 'Trans proline' 0 N--CA 1.502 2.003 0 C-N-CA 123.087 2.525 . . . . 0.0 112.097 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -111.93 172.49 14.88 Favored Glycine 0 N--CA 1.469 0.842 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 74.9 m -61.97 -28.7 69.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.896 0.379 . . . . 0.0 110.483 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -57.53 -27.6 62.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.568 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.6 t90 -59.68 -21.58 60.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.094 0.473 . . . . 0.0 111.295 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 58.12 -4.93 0.05 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 77.34 20.71 74.51 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.36 150.48 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.664 0.269 . . . . 0.0 110.375 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -69.16 128.61 37.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.401 ' NE ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -140.36 135.59 32.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.746 0.308 . . . . 0.0 110.443 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . 0.442 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 51.0 m -137.77 153.61 49.68 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.649 0.261 . . . . 0.0 110.849 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -87.02 -0.66 57.0 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.678 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . 96.28 -153.88 20.61 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -55.49 -21.33 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.684 0.278 . . . . 0.0 110.657 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.79 -24.21 56.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.86 0.362 . . . . 0.0 110.766 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.89 -19.07 26.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.419 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -54.36 -27.51 36.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -60.89 -46.03 92.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.18 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -66.26 -39.8 89.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.445 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.15 98.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -63.43 -44.71 93.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.44 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -64.5 -38.0 89.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.437 . . . . 0.0 110.944 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -69.32 -42.35 75.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.221 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -70.49 -46.3 64.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.974 0.416 . . . . 0.0 111.739 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 19.5 tt -66.66 -35.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.977 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -84.2 99.75 10.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.304 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -99.3 -43.07 6.73 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.6 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.02 -12.8 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.649 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 35.4 mtt -74.38 66.07 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.589 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.35 -13.13 73.54 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -91.68 -4.39 55.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.754 0.311 . . . . 0.0 110.504 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -141.81 132.47 25.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.545 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -149.77 119.61 7.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.584 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -112.1 -158.2 0.64 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.742 0.306 . . . . 0.0 110.497 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 56.44 40.13 29.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.606 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -83.9 61.97 6.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.351 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.94 118.67 18.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.652 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -133.88 141.5 47.4 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.536 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.43 144.75 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.303 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -95.52 113.11 24.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.054 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.3 mt -104.15 123.82 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.527 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.13 -177.54 15.07 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 61.36 29.14 18.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.565 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -102.24 140.28 36.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.216 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -68.96 135.67 51.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -56.47 -20.79 21.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.436 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.77 -31.77 73.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.564 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.91 126.47 27.43 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.2 p -97.66 174.36 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.476 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.74 -43.35 94.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.346 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.71 -39.3 97.36 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.57 -43.58 97.13 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 110.753 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.67 -43.87 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.247 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' ' OG ' ' A' ' 32' ' ' SER . 7.8 mt -57.13 -48.12 79.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.784 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.1 m -61.57 -41.77 97.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.043 0.449 . . . . 0.0 110.575 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.94 -45.66 97.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.03 -13.28 44.89 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 27.0 m -51.24 -54.56 24.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.847 0.356 . . . . 0.0 111.906 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 83.5 tt0 -62.41 -19.52 63.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CZ ' ' OD1' ' A' ' 71' ' ' ASN . 48.7 m-85 -107.94 33.57 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.42 74.98 1.21 Allowed Glycine 0 C--N 1.341 0.846 0 C-N-CA 120.304 -0.951 . . . . 0.0 111.708 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.5 p -51.87 112.71 3.43 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-O 121.361 0.6 . . . . 0.0 110.649 -177.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HG2' HD11 ' A' ' 57' ' ' LEU . 33.7 Cg_exo -55.33 160.15 9.2 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 123.225 2.616 . . . . 0.0 111.868 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.1 m -90.82 -25.04 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.592 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -169.24 151.33 4.59 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.6 146.22 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.235 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.1 mt -105.46 117.6 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.325 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -110.33 98.95 8.06 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.468 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.6 m -78.43 146.73 34.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.675 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -155.01 149.01 25.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.584 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 49' ' ' GLY . 64.9 t0 -87.7 116.98 26.21 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.529 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -63.87 -21.12 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.739 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -61.54 -40.07 93.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.351 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 50' ' ' GLU . 1.6 t -119.43 -7.2 10.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.775 0.322 . . . . 0.0 110.51 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 77.03 20.25 76.12 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.407 ' H ' HG23 ' A' ' 48' ' ' THR . 24.7 pt-20 -170.58 168.56 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.735 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.5 t -139.89 -151.49 0.37 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.68 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.15 -10.42 57.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.417 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.37 16.23 53.57 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -83.62 148.81 26.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.758 0.313 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.62 153.32 29.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -105.99 120.99 43.19 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.069 0.462 . . . . 0.0 110.11 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.618 HD23 ' C ' ' A' ' 57' ' ' LEU . 9.6 tt -100.14 122.08 42.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.51 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -91.13 121.67 33.11 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.724 0.297 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.417 ' CD2' HG22 ' A' ' 65' ' ' THR . 0.4 OUTLIER -100.52 135.21 42.31 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.782 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.31 -43.18 98.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.445 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -126.35 138.66 53.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.71 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.02 -35.56 81.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.9 -37.59 79.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.788 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -62.38 -36.57 82.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.98 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 69' ' ' VAL . 38.7 p -55.09 -30.98 60.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.348 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.44 -44.65 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.639 HD21 ' CD1' ' B' ' 311' ' ' PHE . 32.3 mt -59.79 -51.09 71.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.233 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.63 -47.78 77.27 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.075 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 75.7 t -63.64 -52.55 56.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.175 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.82 -29.85 70.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.906 0.384 . . . . 0.0 111.824 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.558 ' OD1' ' CZ ' ' A' ' 34' ' ' TYR . 23.4 t-20 -84.54 -48.91 9.08 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.443 HD12 HD22 ' A' ' 82' ' ' LEU . 4.4 mm? -77.35 -28.87 53.17 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.828 0.347 . . . . 0.0 111.478 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 51.7 t30 -68.7 116.07 8.78 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.933 0.397 . . . . 0.0 110.465 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.59 -0.65 63.36 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' CD1' ' HA ' ' B' ' 326' ' ' ASN . 34.3 t80 -94.2 127.25 39.93 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.794 0.331 . . . . 0.0 110.277 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -83.46 123.3 29.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.4 HG13 ' CD2' ' A' ' 75' ' ' PHE . 22.4 mt -133.3 119.29 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.408 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.45 15.28 81.14 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.72 7.88 64.29 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -141.97 151.9 42.96 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.65 0.262 . . . . 0.0 110.775 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.46 146.85 24.97 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.032 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.443 HD22 HD12 ' A' ' 72' ' ' LEU . 6.0 mp -78.16 156.47 29.85 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.548 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -127.06 101.87 6.73 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 mt -121.78 147.12 25.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.319 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -157.47 164.45 37.42 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -88.54 119.77 29.31 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.676 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.759 HG23 ' H ' ' A' ' 89' ' ' TYR . 14.9 t -109.14 -21.21 12.7 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.822 0.344 . . . . 0.0 110.577 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 42.38 31.19 0.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.653 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.759 ' H ' HG23 ' A' ' 87' ' ' THR . 36.1 t80 -62.16 139.18 58.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.2 ttt85 -97.63 111.57 59.06 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.792 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.51 137.21 48.93 Favored 'Trans proline' 0 N--CA 1.503 2.036 0 C-N-CA 123.329 2.686 . . . . 0.0 111.923 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt 54.05 92.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.65 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -52.98 134.36 37.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.3 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.3 t -65.14 138.36 58.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.542 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 95' ' ' LEU . 3.1 tt -116.29 106.82 14.1 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.211 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 98' ' ' TYR . 64.1 tt0 -139.67 142.73 36.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.565 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.505 ' C ' ' H ' ' A' ' 99' ' ' TYR . 39.1 tptt 60.79 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.217 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.505 ' CD2' ' O ' ' A' ' 98' ' ' TYR . 32.2 t80 49.11 9.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.813 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' ' 97' ' ' LYS . 2.0 t80 -82.79 -43.43 16.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -84.43 -13.23 52.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.483 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.36 7.08 40.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.657 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 99' ' ' TYR . 55.2 t -59.2 -47.73 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.494 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -171.03 -62.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -78.51 132.96 37.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 107' ' ' ASP . 4.3 pt-20 -135.06 111.68 9.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.226 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 106' ' ' LEU . 10.5 mp 54.48 6.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.106 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 105' ' ' GLU . 98.9 m-20 -67.01 142.15 57.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.421 ' O ' HG12 ' A' ' 111' ' ' VAL . 83.8 mtp180 -128.4 5.13 5.7 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.874 0.368 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.57 -11.64 58.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.2 pt -56.34 -22.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 108' ' ' ARG . 5.4 p -98.1 143.84 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.459 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 92.2 p -155.46 159.05 39.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.537 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -127.55 13.3 7.0 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.627 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -92.96 16.1 13.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.554 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -69.5 -2.85 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.595 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.97 146.03 25.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -164.03 160.94 22.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.6 mptt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.389 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 63.4 t80 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.87 134.61 55.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.554 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.96 147.85 78.59 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.82 66.15 2.4 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.043 2.495 . . . . 0.0 111.976 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . 51.52 81.02 0.27 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.08 136.61 45.18 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.814 2.342 . . . . 0.0 112.048 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -93.06 152.33 19.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.617 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.469 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 29.0 p30 -145.41 140.7 27.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -66.06 -41.14 91.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.476 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.639 ' CD1' HD21 ' A' ' 67' ' ' LEU . 15.6 m-85 -115.87 -178.77 3.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.978 0.418 . . . . 0.0 110.182 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -111.04 25.08 12.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 67' ' ' LEU . 88.7 mt -99.46 119.75 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.885 0.374 . . . . 0.0 110.526 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.86 149.58 60.07 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.201 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.63 156.02 64.8 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 123.265 2.644 . . . . 0.0 112.002 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -102.38 163.27 16.7 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . 0.545 ' C ' ' H ' ' B' ' 319' ' ' TRP . 96.6 p -65.32 -31.81 73.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.013 0.435 . . . . 0.0 110.679 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 318' ' ' ARG . 17.0 ttp180 -66.0 9.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.519 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.639 ' C ' ' H ' ' B' ' 321' ' ' GLY . 20.0 t90 -81.71 -5.28 57.97 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.139 0.495 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 32.5 t0 63.37 -24.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.639 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 90.86 12.54 60.39 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.548 ' O ' ' CZ2' ' B' ' 319' ' ' TRP . 30.1 m -71.97 151.68 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 110.429 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -82.2 109.96 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.141 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -129.53 109.41 11.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 109.985 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 89.0 p -154.55 165.2 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.413 ' HA ' ' CD1' ' A' ' 75' ' ' PHE . 64.8 t-20 -117.89 126.31 52.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -56.59 -32.18 61.06 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -54.51 -45.75 73.36 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.532 ' HG3' ' HE1' ' B' ' 332' ' ' TRP . 72.7 tt0 -70.83 -30.9 67.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.107 0.479 . . . . 0.0 110.398 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -65.67 -23.64 66.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.834 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 8.3 ptmm? -48.37 -48.45 36.63 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.339 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . 0.589 ' CZ2' ' CD2' ' B' ' 333' ' ' PHE . 61.6 p-90 -87.24 -36.7 17.8 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.143 0.497 . . . . 0.0 110.935 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . 0.589 ' CD2' ' CZ2' ' B' ' 332' ' ' TRP . 0.1 OUTLIER -60.07 -36.3 77.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' B' ' 338' ' ' GLU . . . -61.4 -46.94 88.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.286 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -66.12 -34.29 77.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.687 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.91 -43.24 99.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.108 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.37 -41.59 98.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.418 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' B' ' 338' ' ' GLU . 0.2 OUTLIER -63.54 -42.41 98.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.662 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.11 123.8 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -159.12 150.71 20.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.475 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 39.87 -113.98 0.16 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.648 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.346 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.11 137.7 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.1 tpt -79.36 -58.93 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.951 0.405 . . . . 0.0 110.68 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.2 -123.54 2.22 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 56.85 39.53 29.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.778 0.323 . . . . 0.0 110.604 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -157.64 136.27 11.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -149.52 -80.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.561 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? 52.53 85.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -132.05 45.04 2.83 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 110.69 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -146.3 45.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.408 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.22 143.08 41.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.74 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -122.04 145.15 48.43 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.511 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.418 HD12 HD23 ' A' ' 57' ' ' LEU . 1.4 mt -97.83 116.01 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -79.11 118.53 21.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.412 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.7 mt -108.77 121.09 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.586 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.03 -178.32 15.35 Favored Glycine 0 N--CA 1.469 0.839 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 55.43 37.39 28.82 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.767 0.317 . . . . 0.0 110.674 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -104.45 144.36 31.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.395 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 59.6 t-20 -81.45 140.3 34.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.603 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 8.1 ptp180 -60.65 -17.62 48.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.643 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.17 -14.51 63.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -87.86 132.81 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.43 -175.44 2.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 110.313 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -62.8 -40.52 97.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.351 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.4 -42.34 99.12 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.7 m-20 -61.72 -44.3 97.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.665 0.269 . . . . 0.0 110.676 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.63 -44.6 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' SER . 22.7 mt -58.23 -47.31 83.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.625 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.669 HG23 ' O ' ' B' ' 319' ' ' TRP . 55.2 m -61.11 -42.97 99.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.004 0.43 . . . . 0.0 111.216 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 26' ' ' ASP . 57.3 t -59.8 -47.87 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.025 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 72' ' ' LEU . 41.6 m-85 -87.3 -13.87 42.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 0.0 111.549 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 28' ' ' LEU . 19.6 t -45.91 -58.43 3.55 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -66.49 -12.01 55.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.118 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.617 ' CE2' ' ND2' ' A' ' 71' ' ' ASN . 53.0 m-85 -113.34 33.01 5.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' C ' ' CE1' ' A' ' 59' ' ' TYR . . . 100.88 71.94 0.96 Allowed Glycine 0 C--N 1.341 0.821 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.68 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.1 p -53.95 110.41 2.06 Favored Pre-proline 0 CA--C 1.543 0.685 0 CA-C-O 121.356 0.598 . . . . 0.0 110.529 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.05 151.28 51.17 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 123.159 2.573 . . . . 0.0 112.141 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.444 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 15.8 m -92.18 -20.99 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.026 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 38' ' ' VAL . 41.8 m-20 -158.19 127.53 5.77 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.517 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -112.43 127.46 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.406 HD12 ' OH ' ' A' ' 89' ' ' TYR . 80.6 mt -101.58 119.1 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.022 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.36 130.03 56.67 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.227 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -81.0 136.4 35.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.01 128.85 18.38 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.432 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 49' ' ' GLY . 97.8 m-20 -89.61 114.41 26.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.827 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -72.52 -22.58 61.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.659 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -64.87 -40.82 95.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.5 p -114.2 -25.84 8.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 87.92 6.75 75.37 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -114.52 -177.81 3.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.838 0.351 . . . . 0.0 110.569 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.7 p -151.42 159.04 44.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.542 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -65.56 -31.67 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.331 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.48 42.9 1.31 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -134.25 153.58 51.78 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.853 0.359 . . . . 0.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.57 160.18 42.38 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.599 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.14 140.1 44.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.494 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 13' ' ' ILE . 2.2 tp -111.62 139.89 46.69 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.018 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -131.04 114.46 15.2 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.414 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CE1' ' C ' ' A' ' 35' ' ' GLY . 69.9 t80 -112.49 166.01 11.71 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.97 0.414 . . . . 0.0 110.121 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 60.8 mm-40 -62.7 -48.18 80.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.937 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -113.33 116.81 30.29 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.931 0.396 . . . . 0.0 111.455 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 65' ' ' THR . 24.2 pt20 -56.41 -19.49 15.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 110.68 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -63.79 -36.01 82.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -60.82 -21.83 63.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.774 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 69' ' ' VAL . 38.9 p -59.06 -34.08 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.992 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.35 -43.32 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.411 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.16 -47.68 84.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.82 90.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.964 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 65' ' ' THR . 42.7 t -56.81 -67.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.423 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -56.67 -42.74 79.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.952 0.405 . . . . 0.0 111.986 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.617 ' ND2' ' CE2' ' A' ' 34' ' ' TYR . 34.3 t30 -63.27 -45.62 90.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 84.2 mt -90.94 -16.78 27.49 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 36.2 t30 -74.4 117.04 15.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.576 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.43 6.66 68.1 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -99.67 125.93 45.6 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 110.309 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -84.96 124.73 32.01 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 79' ' ' GLY . 71.0 mt -133.24 127.88 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.2 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.32 -39.14 1.43 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 77' ' ' ILE . . . 156.25 -8.71 0.27 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -127.1 152.85 46.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.711 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.48 131.19 35.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.67 135.78 56.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.64 100.71 9.45 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.352 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mm -98.93 127.34 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -145.32 152.41 39.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -82.96 136.55 34.5 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.684 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.1 t -149.22 159.2 44.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.677 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -139.9 36.86 1.97 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.74 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.406 ' OH ' HD12 ' A' ' 41' ' ' ILE . 6.9 p90 -51.51 152.92 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.387 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -71.41 120.26 78.73 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.14 161.11 1.72 Allowed 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 123.124 2.549 . . . . 0.0 112.108 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -134.79 158.55 43.9 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.571 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -157.53 160.16 37.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.9 m -131.12 145.73 52.09 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 tp -158.5 -1.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.432 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.46 -39.12 92.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.656 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -59.64 -43.82 93.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -71.55 -39.59 70.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.81 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.611 ' O ' HG12 ' A' ' 102' ' ' VAL . 91.2 t80 -51.43 -48.49 62.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.247 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.75 -36.37 73.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.31 -17.78 61.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.994 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 99' ' ' TYR . 4.3 p -51.3 -29.75 9.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.637 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -141.54 -42.6 0.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -105.79 101.28 10.8 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.192 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -62.44 -41.25 98.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.8 tp -167.2 20.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.545 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -83.25 89.45 6.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.586 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -97.54 -169.97 1.93 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -72.43 46.71 0.15 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.1 tp -57.63 -27.32 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.48 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.8 m -63.98 -17.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.654 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.7 m -60.47 112.61 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.615 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.427 ' O ' ' OD1' ' A' ' 115' ' ' ASN . 98.2 mttt 43.92 33.01 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.628 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 48.97 -110.17 0.38 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.55 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 113' ' ' LYS . 16.3 m120 51.19 -152.15 0.21 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -162.18 150.2 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -136.55 147.41 47.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.509 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.555 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.18 140.98 58.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.561 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 305' ' ' PRO . 68.9 mttm -76.22 149.3 81.92 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' B' ' 304' ' ' LYS . 52.0 Cg_exo -48.88 -169.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 123.061 2.508 . . . . 0.0 112.152 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' B' ' 307' ' ' PRO . . . -70.63 158.44 87.87 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.636 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' B' ' 306' ' ' ALA . 44.4 Cg_endo -68.31 151.72 76.19 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.803 2.335 . . . . 0.0 111.994 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.94 168.02 11.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -80.01 130.51 35.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.724 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -87.26 -50.01 6.88 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.772 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -76.76 113.16 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.265 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -92.98 71.47 4.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.441 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 88.6 mt -71.7 125.82 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . 0.599 ' N ' ' SD ' ' B' ' 314' ' ' MET . 1.6 pmm? -72.0 157.38 89.58 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.233 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.84 152.09 80.66 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.991 2.461 . . . . 0.0 112.275 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -104.33 164.42 14.87 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . 0.491 ' C ' ' H ' ' B' ' 319' ' ' TRP . 42.5 t -62.44 -43.31 99.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.928 0.394 . . . . 0.0 110.791 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -65.88 6.04 0.41 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.669 ' O ' HG23 ' A' ' 29' ' ' THR . 23.0 t90 -68.51 -21.57 64.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.241 0.543 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 22.5 t0 67.23 -33.5 0.21 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.7 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 109.61 12.73 18.36 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.531 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 83.9 t -86.62 123.64 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.172 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . 0.789 ' CD2' ' H ' ' B' ' 323' ' ' HIS . 0.1 OUTLIER -82.4 124.43 30.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.344 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -139.29 107.32 5.71 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.752 0.31 . . . . 0.0 110.226 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 87.0 p -158.38 166.02 33.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.582 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 71' ' ' ASN . 40.5 p-10 -143.51 8.82 1.57 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.76 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.01 109.62 3.46 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -63.79 -46.83 83.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.033 0.444 . . . . 0.0 110.541 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 47.2 mt-10 -58.09 -20.4 39.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.392 0.615 . . . . 0.0 111.052 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -54.58 -20.31 7.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.701 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.475 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.0 OUTLIER -56.35 -62.8 1.47 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.419 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' B' ' 329' ' ' GLU . 49.0 p-90 -70.12 -26.19 63.84 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 110.593 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -74.59 -40.3 61.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.184 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.05 96.65 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -65.77 -38.97 90.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.638 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -61.03 -43.02 99.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.342 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . 0.486 ' O ' ' OD1' ' B' ' 340' ' ' ASN . 69.3 m-80 -76.05 -26.48 56.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.179 0.514 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -66.6 -38.61 87.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.992 0.425 . . . . 0.0 111.033 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 44.6 pt -79.03 12.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.606 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . 0.533 ' C ' ' OD1' ' B' ' 340' ' ' ASN . 25.3 p30 -117.93 2.85 12.18 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -64.17 157.7 24.94 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt . . . . . 0 C--O 1.221 -0.397 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.575 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.85 47.08 25.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.354 . . . . 0.0 110.532 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.8 mmt -62.14 -40.48 96.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.371 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.39 -133.55 52.64 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -102.68 7.63 39.74 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.704 0.288 . . . . 0.0 110.461 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -91.72 139.46 30.65 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.456 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -149.4 34.83 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -75.78 79.87 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.309 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -167.42 21.56 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.687 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -93.42 100.72 12.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.17 145.87 24.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.149 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -123.72 138.09 54.58 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.755 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.5 pt -130.2 154.66 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.945 0.402 . . . . 0.0 110.318 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -94.89 125.95 39.89 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.725 HD11 HD11 ' A' ' 57' ' ' LEU . 58.3 mt -120.49 103.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.05 177.18 16.38 Favored Glycine 0 N--CA 1.47 0.964 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.456 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 28.0 t-20 61.05 42.23 12.81 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.844 0.354 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.404 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -105.2 157.49 17.25 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.183 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -82.6 138.98 34.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.258 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -59.61 -24.58 63.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -62.08 -28.48 69.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.633 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.3 mp -72.29 127.14 31.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -107.02 -171.87 1.97 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.54 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.9 -42.28 93.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.02 98.71 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 30' ' ' VAL . 96.5 m-20 -62.56 -44.42 96.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.844 0.355 . . . . 0.0 110.774 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.59 -45.46 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 32' ' ' SER . 25.0 mt -61.33 -47.33 86.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.539 HG23 ' O ' ' B' ' 319' ' ' TRP . 17.1 m -61.97 -40.89 97.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 0.0 111.108 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 26' ' ' ASP . 73.3 t -61.88 -50.62 79.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.738 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -87.5 -15.44 37.57 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.106 0.479 . . . . 0.0 111.751 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.0 t -45.94 -55.62 6.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.75 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.504 ' OE1' ' CE2' ' B' ' 319' ' ' TRP . 24.4 pt-20 -64.1 -11.86 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -112.77 33.99 4.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.4 69.89 0.99 Allowed Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.022 -1.085 . . . . 0.0 111.362 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 36' ' ' VAL . 4.7 p -55.54 127.93 67.23 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.922 -177.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.6 161.84 41.19 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 123.569 2.846 . . . . 0.0 111.756 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.425 ' H ' HG22 ' A' ' 38' ' ' VAL . 15.7 m -88.81 -13.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.715 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -168.72 148.46 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.789 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 40' ' ' VAL . 5.1 m -123.32 130.09 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -94.76 112.32 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.538 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mp -115.89 96.26 5.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.503 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.4 t -74.39 132.77 42.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.125 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.8 mtt-85 -124.18 132.12 53.59 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.824 0.345 . . . . 0.0 110.92 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 61.8 t0 -80.58 146.83 31.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 55.7 mp0 -68.9 -38.96 79.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.94 0.4 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.04 -41.44 99.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.414 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -95.03 -39.1 10.33 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.021 0.438 . . . . 0.0 111.029 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 86.92 11.07 70.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.42 172.27 15.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.759 0.314 . . . . 0.0 110.56 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -71.42 148.15 47.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.678 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -75.66 3.49 9.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.239 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.14 39.91 1.75 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -151.74 151.3 31.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.717 0.294 . . . . 0.0 110.612 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.65 163.1 35.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.739 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -136.72 122.21 19.55 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.839 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.884 HD12 ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -106.11 138.35 42.45 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.764 0.316 . . . . 0.0 110.307 -179.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -84.27 105.14 14.89 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.77 138.29 37.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.59 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 36' ' ' VAL . 45.7 mp0 -70.49 -43.24 70.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.35 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -119.25 124.91 47.88 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.117 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.56 -34.59 77.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.504 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' N ' ' CD ' ' A' ' 63' ' ' ARG . 11.6 mpt_? -59.18 -33.06 70.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.313 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.1 t -59.56 -37.87 79.6 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.755 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.7 p -57.2 -33.57 67.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.683 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.06 -40.36 88.73 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 CA-C-O 120.987 0.422 . . . . 0.0 110.419 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' B' ' 311' ' ' PHE . 44.1 mt -69.5 -38.34 77.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.939 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.72 87.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.026 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.516 HG23 ' N ' ' A' ' 70' ' ' ASP . 25.7 m -74.7 -42.76 47.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 121.238 0.542 . . . . 0.0 111.058 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.516 ' N ' HG23 ' A' ' 69' ' ' VAL . 98.3 m-20 -59.08 -15.99 16.83 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.619 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' B' ' 326' ' ' ASN . 3.9 t30 -116.63 -49.07 2.66 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -78.75 -21.93 47.22 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 64.7 t30 -68.69 118.51 11.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.0 0.429 . . . . 0.0 110.523 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.58 10.34 67.74 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -104.14 117.28 33.88 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -67.61 125.89 27.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.771 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.2 tt -137.09 131.86 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.611 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.39 23.97 73.56 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.91 0.56 90.32 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.29 150.57 47.88 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.864 0.364 . . . . 0.0 110.655 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.05 120.02 33.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.591 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.63 151.82 34.16 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.486 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -110.39 115.81 30.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.441 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.502 ' CG2' HG12 ' A' ' 69' ' ' VAL . 1.3 mm -106.57 128.32 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.138 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 43.7 t0 -156.54 145.46 20.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.722 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.484 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 20.8 m170 -70.49 141.61 51.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.166 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 87' ' ' THR . 10.0 t -129.81 126.27 37.68 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.754 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -76.22 7.42 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.383 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -53.9 120.88 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -98.04 149.51 35.81 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.68 129.69 25.71 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 123.037 2.491 . . . . 0.0 111.756 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -77.51 136.9 38.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 74.58 45.66 0.17 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.2 m -128.49 117.8 21.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.51 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.7 tp -160.43 103.19 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.428 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.451 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 3.9 mp0 -100.14 -44.51 5.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.746 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.503 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 26.8 ttmt -169.14 13.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 97' ' ' LYS . 36.8 p90 34.85 40.44 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.028 0.442 . . . . 0.0 110.689 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -56.76 -32.1 65.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.59 -22.46 13.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.46 84.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.7 m -96.09 20.72 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.909 0.385 . . . . 0.0 111.265 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -81.23 24.15 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.281 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 53.55 40.57 31.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.578 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -65.36 -42.71 92.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.464 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.27 -39.42 11.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 109' ' ' ASP . 59.6 m-20 -61.7 -156.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.419 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 57.42 -81.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.063 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 107' ' ' ASP . 97.0 m-20 -67.24 -40.01 86.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.153 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 111' ' ' VAL . 25.9 mt 53.82 165.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.342 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.484 ' N ' HG22 ' A' ' 110' ' ' ILE . 13.8 m -59.43 -23.34 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.5 m -69.86 -21.52 63.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.473 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.7 mttp 56.98 -124.8 1.82 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -100.11 20.27 14.83 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.862 0.363 . . . . 0.0 110.738 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 34.8 m120 54.84 37.83 29.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -17.64 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -61.43 -38.86 88.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.308 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.0 pttt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.567 179.859 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -77.05 120.89 22.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -91.67 146.8 33.83 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.54 -174.74 1.55 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 123.151 2.568 . . . . 0.0 111.914 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -116.87 149.28 43.78 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.31 148.13 60.84 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 123.019 2.479 . . . . 0.0 112.006 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' B' ' 308' ' ' GLU . 0.8 OUTLIER -147.83 150.64 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.462 179.672 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -80.36 127.76 32.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.66 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -87.64 -22.76 24.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -109.3 171.86 7.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.085 -179.376 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -137.65 70.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.365 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 83.3 mt -93.78 128.37 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.717 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 25.8 mmt -83.78 147.97 53.2 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.66 154.74 59.52 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 123.195 2.597 . . . . 0.0 112.14 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -99.44 173.89 26.58 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 69.0 m -68.78 -28.9 67.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.367 . . . . 0.0 110.642 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -58.93 -16.78 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.709 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.539 ' O ' HG23 ' A' ' 29' ' ' THR . 20.9 t90 -60.07 -25.25 65.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.107 0.479 . . . . 0.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 24.0 t0 65.79 -11.47 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 80.93 13.68 80.82 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.452 ' CG1' HG22 ' A' ' 29' ' ' THR . 9.6 p -53.96 151.88 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 120.677 0.275 . . . . 0.0 110.815 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.86 106.2 3.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.958 0.408 . . . . 0.0 110.677 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -137.97 149.66 46.33 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.527 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 99.0 p -81.65 142.6 32.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.899 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.438 ' HA ' ' ND2' ' A' ' 71' ' ' ASN . 2.9 m-80 -150.17 179.6 7.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -73.76 77.28 0.95 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -62.41 -23.37 66.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.768 0.318 . . . . 0.0 110.358 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -56.64 -19.6 17.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -48.21 -34.88 10.84 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.447 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -28.74 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.275 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . 0.64 ' CH2' ' NE2' ' B' ' 336' ' ' GLN . 18.1 t90 -62.61 -44.78 95.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.134 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.27 -39.36 86.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.247 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.693 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.85 -42.37 99.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.51 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . 0.64 ' NE2' ' CH2' ' B' ' 332' ' ' TRP . 87.1 mt-30 -61.87 -43.23 99.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -65.75 -39.99 91.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.69 -49.12 78.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.786 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.65 -45.63 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.81 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -85.87 110.41 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -80.35 115.94 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.179 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.568 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.63 155.32 37.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.816 0.341 . . . . 0.0 110.583 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.2 ttm -84.72 129.27 34.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.2 60.27 8.6 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 6' ' ' GLU . 56.7 t30 -51.3 111.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 0.0 110.748 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 5' ' ' ASN . 69.0 mm-40 48.86 177.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.631 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -135.0 149.51 50.19 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.4 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -47.27 112.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -143.96 128.71 18.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.505 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -102.77 5.9 39.05 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.63 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 12' ' ' TYR . . . -64.29 121.81 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' A' ' 11' ' ' ALA . 15.0 m-85 -158.4 136.0 10.32 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -118.44 130.08 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.761 0.315 . . . . 0.0 110.16 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -88.22 127.97 35.45 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.816 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.8 mt -121.27 108.55 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.138 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.98 174.39 15.55 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 57.4 40.03 27.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.761 0.315 . . . . 0.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.9 155.03 18.95 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.371 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -80.81 128.63 33.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.327 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -61.05 -22.58 64.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.37 -27.61 68.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.3 mp -77.99 128.93 34.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.2 p -96.04 -178.25 4.28 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -61.96 -42.18 98.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.409 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.32 -42.08 99.68 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -63.77 -47.27 81.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.759 0.314 . . . . 0.0 110.707 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.28 -43.26 97.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.584 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' SER . 18.2 mt -55.73 -45.94 77.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.401 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.604 HG23 ' O ' ' B' ' 319' ' ' TRP . 84.4 m -62.61 -40.74 97.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.412 . . . . 0.0 111.104 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.09 -48.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -86.8 -14.82 41.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.391 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LEU . 14.3 t -47.73 -57.53 5.44 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 34' ' ' TYR . 20.8 pt-20 -66.62 -11.77 55.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.496 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.672 ' CZ ' ' ND2' ' A' ' 71' ' ' ASN . 20.3 m-85 -114.04 33.62 5.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.33 70.51 0.89 Allowed Glycine 0 C--N 1.341 0.816 0 C-N-CA 120.147 -1.025 . . . . 0.0 111.631 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.3 p -56.9 122.52 53.17 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-O 120.987 0.422 . . . . 0.0 110.635 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.16 159.11 44.64 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 123.013 2.475 . . . . 0.0 112.38 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.4 m -98.53 -12.64 8.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.135 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -159.64 133.59 7.4 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 t -126.79 127.6 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -93.39 120.3 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 120.872 0.368 . . . . 0.0 110.724 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 42' ' ' LEU . 4.0 mm? -100.35 97.79 8.51 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.99 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -76.2 154.78 35.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.721 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -154.98 145.85 22.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 60.5 t0 -88.69 110.01 20.61 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.546 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -70.36 -18.84 63.07 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.566 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.72 -39.39 91.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.124 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.19 -6.82 9.9 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.341 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 68.95 32.96 73.86 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -148.83 136.27 20.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.828 0.347 . . . . 0.0 110.651 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.4 p -72.67 159.73 33.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.484 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -94.54 -4.32 48.18 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.671 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.69 40.98 3.24 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -142.32 148.92 38.77 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.719 0.295 . . . . 0.0 110.571 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.59 166.73 31.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.632 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -113.21 135.92 53.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.791 0.329 . . . . 0.0 110.623 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.35 133.51 50.93 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.193 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -114.75 110.05 19.13 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.697 0.284 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.522 ' CD2' ' OG ' ' A' ' 64' ' ' SER . 70.6 t80 -110.66 170.82 7.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.882 0.372 . . . . 0.0 110.084 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 39.2 tp10 -71.44 -56.68 5.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -109.82 122.56 47.79 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.944 0.402 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.402 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 13.9 pm0 -58.4 -14.93 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.275 0.56 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 mtm-85 -69.74 -26.0 64.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.522 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 92.7 p -67.61 -19.14 65.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.052 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 69' ' ' VAL . 76.6 p -60.36 -27.11 67.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.0 -39.01 79.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.373 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' B' ' 311' ' ' PHE . 13.1 mt -58.62 -63.45 1.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.499 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.0 89.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.986 0.422 . . . . 0.0 112.0 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 65' ' ' THR . 40.6 t -53.97 -53.67 26.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 59.8 p30 -87.61 -11.27 49.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.672 ' ND2' ' CZ ' ' A' ' 34' ' ' TYR . 17.6 t30 -94.05 -34.54 12.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.645 ' CD2' HD22 ' A' ' 71' ' ' ASN . 3.8 mm? -97.92 -27.92 14.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.678 0.275 . . . . 0.0 111.413 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -63.54 129.85 41.9 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.783 0.325 . . . . 0.0 110.534 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.34 3.17 67.42 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' B' ' 325' ' ' SER . 37.9 t80 -106.6 125.33 50.87 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 110.09 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -87.85 131.53 34.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.364 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.7 mt -131.64 126.34 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 120.797 0.332 . . . . 0.0 110.804 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.19 24.78 70.69 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.424 ' O ' ' CZ ' ' A' ' 80' ' ' ARG . . . 89.11 -10.53 72.63 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.424 ' CZ ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -125.66 146.48 49.71 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.423 -179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.58 126.68 45.61 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.663 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -73.04 150.97 41.93 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.899 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -110.85 123.91 51.04 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.48 113.32 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -131.2 143.94 50.97 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.844 0.354 . . . . 0.0 110.537 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' NE2' HG21 ' A' ' 69' ' ' VAL . 17.6 m-70 -74.52 144.3 44.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.373 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 p -117.64 176.65 5.08 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.259 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 70.3 t80 -159.69 31.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.62 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -96.57 133.32 41.21 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.344 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -82.28 118.07 70.65 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.773 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 12' ' ' TYR . 65.7 Cg_exo -49.59 131.18 27.8 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 123.037 2.491 . . . . 0.0 112.145 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' A' ' 93' ' ' ARG . 11.5 ptmm? -149.71 -47.88 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.429 ' N ' ' CG ' ' A' ' 92' ' ' LYS . 77.1 ttt-85 57.14 98.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.422 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 96' ' ' GLN . 70.3 m -65.34 -177.58 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.683 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.0 mt 57.92 2.51 0.18 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.572 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' A' ' 94' ' ' SER . 56.5 tt0 -89.77 -55.08 3.78 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.249 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -101.93 43.29 1.08 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.362 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.19 -35.69 79.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.3 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -53.6 -48.42 69.28 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.003 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.84 -39.66 95.05 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.99 85.65 7.13 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.546 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.11 -21.99 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.572 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -98.83 14.84 27.45 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.692 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 55.76 69.43 0.74 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.096 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -93.17 -55.27 3.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.503 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 106' ' ' LEU . 10.3 mp -83.24 -16.72 45.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.448 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.17 139.91 58.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' O ' HG12 ' A' ' 111' ' ' VAL . 99.3 mtt180 -105.51 20.98 17.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.634 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.42 -26.74 68.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.479 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 43.4 pt -72.75 -7.86 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.658 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 111' ' ' VAL . 8.6 p -46.4 129.73 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.3 m -138.91 1.47 2.07 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.87 0.367 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -79.2 154.06 29.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -83.2 115.85 22.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -62.1 -25.36 67.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.34 87.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.02 131.01 44.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.467 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.482 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 89.1 t80 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -64.18 153.17 38.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.465 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -86.99 133.71 38.55 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.02 95.23 0.97 Allowed 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 123.126 2.551 . . . . 0.0 112.347 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . 45.8 85.94 0.15 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.787 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.68 137.0 66.54 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.763 2.309 . . . . 0.0 112.106 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -104.66 136.79 43.52 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 56.0 p30 -148.05 155.49 41.55 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.382 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -70.83 -44.99 65.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.421 ' CD1' HD21 ' A' ' 67' ' ' LEU . 75.5 m-85 -142.87 154.3 44.0 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.51 25.94 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 96.0 mt -97.04 117.55 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.4 mmt -92.96 146.83 32.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.9 138.84 41.68 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.775 2.317 . . . . 0.0 112.186 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -88.76 176.37 44.34 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 93.8 p -64.36 -23.77 67.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.69 -18.08 63.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' THR . 17.4 t90 -59.83 -20.59 57.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 30.7 t0 64.24 -27.61 0.09 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.422 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.595 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 110.02 10.59 22.27 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.574 ' C ' ' HE1' ' B' ' 319' ' ' TRP . 53.6 t -109.2 117.1 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-O 120.715 0.293 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -112.9 147.2 37.54 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.758 0.313 . . . . 0.0 110.736 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -98.45 127.76 44.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.106 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 75' ' ' PHE . 36.6 t -82.28 144.19 30.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.597 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.524 HD22 ' C ' ' A' ' 71' ' ' ASN . 36.3 t30 -147.78 -96.06 0.08 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.079 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -58.27 117.11 9.55 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -68.98 -22.82 64.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.746 0.308 . . . . 0.0 110.52 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.55 -21.0 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.632 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -51.81 -18.78 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.629 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -54.01 -27.97 35.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -62.24 -50.62 71.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.393 . . . . 0.0 110.271 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -65.37 -38.13 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.055 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.8 95.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.77 -43.45 98.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.027 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . 0.502 ' O ' HG22 ' B' ' 339' ' ' ILE . 20.0 mm100 -61.97 -42.26 98.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -70.88 -42.47 69.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -73.44 -13.17 61.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . 0.502 HG22 ' O ' ' B' ' 336' ' ' GLN . 20.4 tt -38.16 140.36 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.994 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -144.37 -146.23 0.18 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.497 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -112.75 130.39 56.09 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 110.394 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.514 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.411 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.02 138.97 58.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.325 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.7 -38.59 87.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.639 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.13 -39.74 96.24 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -91.29 108.31 19.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.6 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -79.8 -34.17 39.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.595 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -134.56 155.5 50.31 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.91 163.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 10' ' ' ASN . 54.7 p-10 -140.07 -2.98 1.43 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.677 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.448 ' O ' ' O ' ' A' ' 9' ' ' ASP . 28.1 m120 58.28 126.15 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.12 149.92 38.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.582 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -122.08 148.96 44.22 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.918 0.389 . . . . 0.0 110.671 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 13' ' ' ILE . 2.0 mt -99.91 114.41 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -76.25 120.97 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.623 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.1 mt -116.82 120.95 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.167 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.77 -179.58 18.97 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.436 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 22.8 t-20 63.91 22.69 13.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.812 HD23 ' H ' ' A' ' 18' ' ' LEU . 2.0 pt? -102.19 151.26 22.41 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.124 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -73.95 135.38 43.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -60.79 -18.21 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.626 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -62.93 -31.98 73.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.84 123.66 18.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.08 0.467 . . . . 0.0 110.328 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -88.69 171.08 10.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.577 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.94 -40.2 94.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.183 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.23 98.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 30' ' ' VAL . 65.7 t0 -60.76 -46.41 90.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.712 0.292 . . . . 0.0 110.618 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.78 -43.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.246 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.4 -43.18 83.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.161 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.599 ' CG2' HH21 ' B' ' 324' ' ' ARG . 86.3 m -62.94 -39.92 96.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.407 . . . . 0.0 110.43 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG22 ' NH1' ' B' ' 324' ' ' ARG . 80.3 t -64.26 -47.93 87.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.489 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.446 ' CD2' HD22 ' A' ' 57' ' ' LEU . 50.3 m-85 -82.93 -13.63 55.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.889 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.4 p -45.03 -59.33 2.65 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' OE1' ' CZ2' ' B' ' 319' ' ' TRP . 12.3 pt-20 -72.85 -27.36 61.88 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.263 0.554 . . . . 0.0 112.143 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -92.89 35.38 1.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.266 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.53 69.93 0.93 Allowed Glycine 0 C--N 1.341 0.827 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.543 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.3 p -55.84 120.61 34.42 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.784 -177.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -75.91 157.82 38.81 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 123.209 2.606 . . . . 0.0 112.569 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -93.67 -14.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.225 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 64.0 t0 -163.28 136.71 5.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.678 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.431 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 65.6 t -126.48 130.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.486 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.5 mt -108.34 126.28 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.778 0.323 . . . . 0.0 110.998 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.78 142.95 37.02 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.232 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -59.09 154.91 14.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.427 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -105.61 167.94 9.43 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.783 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -56.77 152.08 13.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.593 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -57.97 -10.33 1.76 Allowed 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.709 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -61.33 -36.74 80.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.186 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.8 p -81.93 -13.42 57.54 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.24 6.45 36.44 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -113.25 131.76 55.79 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.84 0.352 . . . . 0.0 110.742 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.6 p -71.79 156.76 38.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 44.5 mt-30 -101.2 160.78 14.11 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.681 0.277 . . . . 0.0 110.975 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.36 23.14 9.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 5.2 m-85 -144.09 153.99 42.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.727 0.299 . . . . 0.0 110.59 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.65 164.02 39.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.672 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.469 ' CD2' ' CD2' ' A' ' 89' ' ' TYR . 84.7 m-85 -126.75 141.23 51.89 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD22 ' CD2' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -112.84 140.27 47.77 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.945 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -130.38 109.39 10.7 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.243 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -115.12 158.2 22.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 120.811 0.338 . . . . 0.0 110.244 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.65 -43.56 93.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.454 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -103.16 143.6 32.4 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -88.25 -12.83 42.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.086 0.47 . . . . 0.0 110.363 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -68.06 -30.59 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.794 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.7 p -62.5 -22.89 66.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.972 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 69' ' ' VAL . 62.8 p -61.33 -37.52 83.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.4 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.09 -45.12 91.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.001 0.429 . . . . 0.0 110.577 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.625 HD11 ' CD1' ' B' ' 311' ' ' PHE . 17.6 mt -64.42 -53.42 48.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.752 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.26 -37.58 67.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.805 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 65' ' ' THR . 52.2 t -60.95 -69.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.214 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 57.0 t0 -59.27 -33.1 70.65 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 23.6 m120 -67.77 -39.83 84.09 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.4 mt -107.33 -11.16 15.61 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 34.9 t30 -70.37 121.24 17.32 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 122.137 -0.352 . . . . 0.0 110.588 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.01 3.69 87.55 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -93.92 119.02 32.27 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -67.96 121.95 17.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.831 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 77' ' ' ILE . 15.5 tt -141.53 128.31 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.464 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.59 16.38 77.68 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.57 -8.02 79.2 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -136.98 159.58 41.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.609 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.94 129.02 45.24 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -84.76 155.0 22.04 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.24 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -111.48 122.41 47.77 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.425 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.3 mm -106.74 118.33 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.058 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -142.07 144.76 33.73 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.802 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -75.67 144.17 41.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.815 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.5 t -152.95 144.23 23.21 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.777 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -88.41 16.53 6.31 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.349 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.469 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 59.8 t80 -48.59 119.39 3.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.474 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -89.01 147.92 39.83 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.04 136.97 33.56 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.817 2.345 . . . . 0.0 111.977 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -105.98 125.13 50.63 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.887 0.375 . . . . 0.0 110.775 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.624 ' NH1' ' NE2' ' A' ' 96' ' ' GLN . 76.0 ttt-85 -164.53 119.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 m -157.05 -33.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.596 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 95' ' ' LEU . 11.2 mp -70.5 73.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.174 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.624 ' NE2' ' NH1' ' A' ' 93' ' ' ARG . 76.5 mt-30 -97.22 -68.19 0.81 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.744 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -108.44 9.59 27.57 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.638 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -58.03 -38.23 75.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -48.15 -21.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 101' ' ' ALA . 19.3 pt-20 -58.47 -41.89 86.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.522 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 100' ' ' GLU . . . -63.81 -36.42 83.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.53 -44.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.774 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -121.77 72.79 1.04 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.664 0.268 . . . . 0.0 111.479 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -175.95 -128.96 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.937 0.399 . . . . 0.0 110.275 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 107' ' ' ASP . 99.0 mt-10 42.99 -157.14 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.918 0.389 . . . . 0.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 106' ' ' LEU . 10.7 mp -54.76 90.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.324 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' GLU . 57.3 t0 -156.74 46.28 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -136.94 149.18 47.41 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.646 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.35 38.1 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 36.3 pt -95.65 13.48 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.673 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.8 p -130.03 140.1 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.893 0.378 . . . . 0.0 110.572 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.8 m 55.29 35.31 24.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.479 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -82.06 129.55 34.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.548 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -147.88 103.39 3.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.682 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -148.46 103.2 3.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.702 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -162.42 94.79 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.463 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 45.81 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.522 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -78.66 168.6 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.522 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.01 147.27 94.66 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.31 -76.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.743 2.295 . . . . 0.0 112.162 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' B' ' 307' ' ' PRO . . . -166.05 160.29 12.84 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.438 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' B' ' 306' ' ' ALA . 40.8 Cg_endo -67.59 146.19 72.81 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.665 2.243 . . . . 0.0 112.013 179.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 57.12 -173.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.625 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 14.7 p30 -101.37 131.94 47.19 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.757 0.313 . . . . 0.0 110.73 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -88.91 -51.34 5.68 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.981 0.419 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.625 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -68.31 108.64 3.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.766 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -90.68 79.73 6.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.264 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 31.0 mm -60.99 126.95 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.52 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.8 OUTLIER -74.81 149.69 85.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.171 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.13 155.78 66.98 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.902 2.401 . . . . 0.0 112.071 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -116.01 161.55 12.88 Favored Glycine 0 N--CA 1.47 0.929 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 47.9 t -61.99 -42.16 98.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.003 0.43 . . . . 0.0 111.032 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -62.28 -4.56 1.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.557 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 17.7 t90 -68.19 -5.95 20.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.284 0.564 . . . . 0.0 110.99 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 54.12 2.08 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.004 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 69.28 19.73 74.47 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.545 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 84.0 t -80.54 132.9 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.737 0.303 . . . . 0.0 110.595 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -69.04 129.65 40.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.839 0.352 . . . . 0.0 111.016 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.599 HH21 ' CG2' ' A' ' 29' ' ' THR . 37.2 mmt180 -127.06 109.45 11.89 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 32.5 t -83.99 135.83 34.29 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.709 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.505 ' N ' ' OD1' ' B' ' 326' ' ' ASN . 1.6 p-10 -112.39 -35.58 5.53 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.406 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -172.46 160.8 32.19 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -69.92 -23.98 63.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -63.32 -20.32 65.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.0 -28.94 59.43 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.817 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -54.48 -28.81 47.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.395 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -60.85 -45.75 93.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.144 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -63.93 -39.05 93.27 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.253 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.57 93.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.67 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -62.84 -47.92 81.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.616 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -62.47 -42.93 99.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -65.13 -37.59 87.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.926 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -59.33 -42.42 91.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.738 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 341' ' ' GLU . 40.3 pt -90.83 -21.69 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.893 0.378 . . . . 0.0 110.669 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 46.79 -90.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.359 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' B' ' 339' ' ' ILE . 45.0 mt-10 -131.77 140.56 49.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.661 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 62.3 pttt . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.694 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.17 119.48 6.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.557 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -129.35 64.97 1.47 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.602 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.55 -21.53 64.88 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -62.03 -35.28 78.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.6 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.04 -44.79 94.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.577 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -64.48 -45.47 87.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASP . 64.5 tttm -58.0 -36.09 72.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' LYS . 35.5 t70 -38.27 137.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.525 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.549 HD21 ' HG3' ' A' ' 58' ' ' LYS . 9.2 p-10 -141.13 173.68 11.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.617 ' N ' HE21 ' A' ' 62' ' ' GLN . . . -94.57 153.73 17.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.641 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.576 ' C ' ' HG1' ' A' ' 87' ' ' THR . 59.7 m-85 -121.74 153.17 38.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.613 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.3 pt -129.79 147.61 33.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.525 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -96.05 129.61 43.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' CD1' HD13 ' A' ' 57' ' ' LEU . 78.8 mt -122.12 119.22 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.414 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.29 -177.65 21.11 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 32.5 t-20 65.83 23.23 11.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.743 0.306 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.83 HD23 ' H ' ' A' ' 18' ' ' LEU . 1.8 pt? -105.23 159.88 15.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -69.92 128.87 37.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.47 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -63.53 -19.38 64.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.43 -29.52 70.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.2 mp -70.96 123.38 21.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.8 p -91.19 -174.34 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.479 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -60.36 -39.73 88.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.18 98.47 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 30' ' ' VAL . 97.0 m-20 -62.86 -41.42 99.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.618 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.23 -41.56 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.531 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' O ' ' OG ' ' A' ' 32' ' ' SER . 77.3 mt -58.6 -48.29 81.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.613 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m -62.11 -40.12 94.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.674 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.578 HG22 ' HE ' ' B' ' 324' ' ' ARG . 53.3 t -62.82 -50.88 77.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -87.54 -14.17 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 110.855 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.539 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 2.1 m -46.25 -60.22 2.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.072 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' OE1' ' NE1' ' B' ' 319' ' ' TRP . 11.7 pt-20 -65.87 -12.24 52.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.75 -177.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.548 ' CE1' ' OD1' ' A' ' 71' ' ' ASN . 55.3 m-85 -112.5 34.57 4.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.76 71.42 0.98 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 36' ' ' VAL . 6.9 p -55.47 120.79 33.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.619 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -76.33 157.93 37.1 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 123.021 2.481 . . . . 0.0 112.216 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.7 m -92.24 -14.79 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.463 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -158.94 146.54 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.427 HG12 ' CD2' ' A' ' 42' ' ' LEU . 21.2 t -134.29 128.9 52.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -93.48 111.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 40' ' ' VAL . 4.0 mm? -102.74 100.58 10.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.431 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 m -85.12 145.61 27.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -133.54 154.29 50.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 49' ' ' GLY . 67.8 t0 -73.63 120.51 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.623 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.27 -20.75 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.89 -43.44 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.552 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.31 -39.19 1.04 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.571 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 83.33 1.02 90.38 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -106.12 20.63 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.6 p -145.67 156.41 43.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.599 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 7.2 pt20 -162.09 -104.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.522 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.17 8.69 62.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 9.7 p90 -148.24 134.71 19.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.73 162.56 38.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.554 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -116.5 146.01 42.89 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 15' ' ' ILE . 1.7 tp -107.96 140.59 40.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.614 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.549 ' HG3' HD21 ' A' ' 10' ' ' ASN . 16.5 ttpp -127.19 102.24 6.85 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.547 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 60' ' ' GLU . 5.6 t80 -121.61 145.17 48.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.603 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.544 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 51.6 tp10 -57.93 -49.63 76.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.731 -178.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -83.94 126.3 32.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.617 HE21 ' N ' ' A' ' 11' ' ' ALA . 92.3 mt-30 -85.84 -38.35 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -62.32 -28.28 69.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -64.62 -36.01 82.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.8 p -56.61 -22.97 37.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.549 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.69 -42.24 84.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.677 HD21 ' CD1' ' B' ' 311' ' ' PHE . 5.7 mp -63.03 -46.95 85.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.624 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.61 -38.32 66.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.539 ' O ' ' CB ' ' A' ' 73' ' ' ASN . 75.2 t -65.08 -69.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.727 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 51.9 t0 -59.51 -16.21 23.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.847 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.548 ' OD1' ' CE1' ' A' ' 34' ' ' TYR . 6.2 m120 -89.33 -50.51 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.019 -177.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.69 20.05 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.842 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 7.6 t-20 -81.82 106.8 14.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.488 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.25 -0.95 86.82 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.62 ' CZ ' ' O ' ' B' ' 325' ' ' SER . 48.9 t80 -66.72 128.5 36.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.366 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -81.39 128.84 34.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.6 mt -143.5 109.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.26 16.3 76.63 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.85 -4.34 63.22 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -123.18 148.25 45.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.785 0.326 . . . . 0.0 110.659 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -96.56 135.65 38.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.17 147.12 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.593 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -120.03 101.2 7.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.481 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mm -98.66 136.96 27.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.399 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -156.84 157.29 34.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.54 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -81.87 151.63 27.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.576 ' HG1' ' C ' ' A' ' 12' ' ' TYR . 56.8 p -128.9 -51.27 1.23 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.687 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 55.74 25.05 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.482 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 89' ' ' TYR . 3.1 p90 -85.29 132.59 34.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.634 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -73.72 126.39 89.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.667 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.33 136.97 19.2 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 123.08 2.52 . . . . 0.0 111.977 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 54.79 -104.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.15 147.71 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 95' ' ' LEU . 90.1 p -142.2 126.46 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.634 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 95' ' ' LEU . 10.2 mp -98.67 78.32 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.441 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -58.56 -34.53 71.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.7 -39.22 80.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.674 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -95.55 158.05 15.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.647 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.688 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -155.5 -88.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -96.61 3.45 52.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.22 44.82 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.597 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.3 m -147.73 -27.17 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.55 44.45 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 55.31 26.3 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.604 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 105' ' ' GLU . 35.2 mp0 40.21 -147.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tp -88.13 41.18 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.562 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -84.97 66.81 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -114.3 9.01 16.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -89.21 32.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 37.3 pt -55.15 -20.19 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 28.7 m -69.75 -27.52 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.563 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 95.9 p -67.95 -27.17 66.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.668 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -94.82 -41.43 9.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.521 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -63.54 116.71 5.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.3 m120 53.61 39.39 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.559 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 112' ' ' SER . . . -61.5 -40.55 94.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.09 146.86 45.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.525 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.509 -179.822 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 59.0 p-10 -80.59 167.56 19.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -67.37 146.23 98.7 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.726 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.57 -179.83 4.87 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.986 2.458 . . . . 0.0 111.986 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' B' ' 307' ' ' PRO . . . -67.14 159.46 76.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' B' ' 306' ' ' ALA . 39.0 Cg_endo -66.9 154.89 73.06 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.946 2.431 . . . . 0.0 112.024 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -49.79 -59.62 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -73.55 129.32 37.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.452 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . 0.471 ' C ' ' CD1' ' B' ' 311' ' ' PHE . 27.8 mmt180 -58.33 -47.27 84.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.52 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.677 ' CD1' HD21 ' A' ' 67' ' ' LEU . 75.3 m-85 -154.02 165.37 36.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.64 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -93.28 4.36 54.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 85.6 mt -74.58 117.93 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.595 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.0 OUTLIER -95.55 155.1 39.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.82 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -55.1 141.9 78.61 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 123.056 2.504 . . . . 0.0 111.999 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -96.16 162.56 22.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 94.8 p -62.77 -25.19 68.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 0.0 110.661 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -68.38 -14.93 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.618 ' C ' ' H ' ' B' ' 321' ' ' GLY . 18.9 t90 -63.36 -11.13 20.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.627 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 46.2 t0 58.82 -5.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.664 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 78.55 13.26 83.39 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.536 ' O ' ' CE2' ' B' ' 319' ' ' TRP . 43.8 t -70.96 127.57 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.476 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -69.12 132.33 46.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.667 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.578 ' HE ' HG22 ' A' ' 30' ' ' VAL . 69.7 mmt-85 -135.95 115.77 13.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.441 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . 0.62 ' O ' ' CZ ' ' A' ' 75' ' ' PHE . 27.7 t -91.93 149.78 21.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.656 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' B' ' 327' ' ' GLY . 2.0 p30 -137.14 -107.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.533 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' B' ' 326' ' ' ASN . . . -73.38 140.85 28.98 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -66.77 -32.82 74.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.568 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -57.56 -25.45 59.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -53.58 -28.3 31.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.59 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -32.73 55.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.586 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -61.17 -46.98 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.648 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.39 -38.55 91.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.471 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.05 91.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -63.58 -45.2 91.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -63.61 -40.01 95.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -60.26 -41.95 94.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.66 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.05 -41.93 98.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 73.9 mt -88.23 -94.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -172.95 171.94 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -76.62 83.64 3.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 62.9 tttp . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.499 -179.844 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.28 69.03 0.76 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.872 0.368 . . . . 0.0 110.737 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.5 ptm -150.78 159.09 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.578 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.23 -161.36 31.4 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 48.2 p-10 -64.28 157.47 25.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.471 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' H ' ' H ' ' A' ' 7' ' ' TYR . 23.7 tt0 -172.59 -7.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.618 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' H ' ' H ' ' A' ' 6' ' ' GLU . 98.7 m-85 -83.49 143.98 29.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -93.95 141.68 28.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -111.55 -46.71 3.24 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.825 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -91.88 137.78 32.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.948 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.14 136.91 34.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -131.8 160.35 35.84 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.559 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 pt -135.42 143.98 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.249 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.489 ' N ' ' OG1' ' A' ' 87' ' ' THR . 66.6 t80 -93.91 120.91 34.8 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -112.6 118.88 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.96 -178.46 15.42 Favored Glycine 0 N--CA 1.468 0.795 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 53.67 41.51 32.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.73 0.3 . . . . 0.0 110.422 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -98.46 156.97 16.51 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.313 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' HB3' HD13 ' A' ' 22' ' ' LEU . 39.2 t-20 -73.89 146.97 43.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -65.58 -40.62 92.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.558 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.89 -30.16 71.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.675 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -55.88 113.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.45 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.9 p -95.93 -179.52 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.435 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -60.7 -44.15 96.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.273 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.28 -42.23 99.72 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.459 ' O ' HG23 ' A' ' 30' ' ' VAL . 99.2 m-20 -61.0 -42.64 98.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 0.0 110.697 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.72 -43.48 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.503 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 32' ' ' SER . 14.1 mt -58.19 -46.12 86.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.413 HG23 ' O ' ' B' ' 319' ' ' TRP . 87.4 m -61.61 -40.23 94.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.057 0.456 . . . . 0.0 111.294 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 26' ' ' ASP . 76.4 t -59.89 -50.02 81.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -90.1 -13.32 36.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.107 0.479 . . . . 0.0 111.386 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.2 t -44.55 -56.73 4.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.808 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 16.3 tm-20 -63.27 -26.44 68.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.0 111.198 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -94.52 33.93 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.274 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.97 71.97 1.11 Allowed Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.172 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 36' ' ' VAL . 9.3 p -55.34 129.82 68.94 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.964 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.46 162.48 41.31 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 123.407 2.738 . . . . 0.0 111.638 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -90.33 -14.42 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.516 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -167.33 149.5 5.94 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.428 HG13 HD12 ' A' ' 57' ' ' LEU . 94.5 t -131.5 128.73 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.167 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.6 mt -103.5 113.84 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.977 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 mt -113.05 101.33 9.36 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.035 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.6 m -86.27 148.58 25.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.722 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.1 ptt85 -154.22 146.49 23.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.47 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' GLY . 71.4 m-20 -88.39 129.01 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -72.77 -19.7 61.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.701 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.09 -39.62 95.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -121.58 -23.64 5.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.879 0.371 . . . . 0.0 110.68 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 93.33 -11.06 72.4 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' H ' HG23 ' A' ' 48' ' ' THR . 12.8 tp10 -166.92 137.53 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 110.669 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.548 ' C ' ' H ' ' A' ' 53' ' ' GLY . 42.9 t -149.49 112.07 4.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.635 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 68.93 -35.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.74 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' A' ' 51' ' ' SER . . . 76.77 40.2 26.94 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -82.62 154.03 25.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.827 0.346 . . . . 0.0 110.446 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.03 156.79 36.56 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -122.05 124.72 44.63 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.883 0.373 . . . . 0.0 110.19 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.428 HD12 HG13 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -100.99 133.68 45.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.621 -179.609 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -96.19 103.53 15.43 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.839 0.352 . . . . 0.0 110.347 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.93 131.73 37.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.434 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.16 -41.45 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.455 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -109.24 130.51 55.49 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -75.11 -27.06 59.71 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.729 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -78.52 -33.13 48.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.727 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.1 t -61.99 -38.17 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.634 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.612 ' O ' HG23 ' A' ' 69' ' ' VAL . 60.7 p -47.5 -29.5 2.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.59 -41.81 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.715 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.728 HD21 ' CD1' ' B' ' 311' ' ' PHE . 83.1 mt -58.59 -50.39 73.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.142 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.56 93.1 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 65' ' ' THR . 54.0 t -49.9 -70.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.304 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.96 -38.25 81.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 111.947 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.609 ' O ' ' ND2' ' B' ' 326' ' ' ASN . 98.6 m-20 -65.21 -43.79 90.42 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 72' ' ' LEU . 4.1 mm? -95.65 -22.22 17.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.852 0.358 . . . . 0.0 111.564 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 19.8 t-20 -62.65 117.69 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 0.0 110.654 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.77 -9.71 76.25 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.525 ' CE1' ' CB ' ' B' ' 325' ' ' SER . 66.1 t80 -77.37 125.63 29.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.594 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -79.21 123.8 27.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.838 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 77' ' ' ILE . 13.3 tt -138.03 130.16 39.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.439 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.89 11.95 70.38 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.12 -20.01 52.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -118.5 140.62 49.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.938 0.399 . . . . 0.0 110.456 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.21 131.03 35.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.63 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -92.07 156.19 17.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.384 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -123.86 122.02 36.89 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.96 126.19 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.903 0.382 . . . . 0.0 110.522 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -132.17 158.2 42.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -67.91 137.73 55.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.568 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.489 ' OG1' ' N ' ' A' ' 14' ' ' TYR . 21.7 m -133.4 129.97 38.09 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.038 0.447 . . . . 0.0 110.231 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -100.15 31.92 3.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.446 ' H ' HG22 ' A' ' 87' ' ' THR . 66.7 t80 -58.09 127.64 33.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.469 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -98.76 119.3 61.48 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.48 139.45 28.58 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 123.265 2.644 . . . . 0.0 112.117 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.4 -39.44 93.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.686 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -64.95 141.1 58.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.614 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.7 t -121.97 -41.24 2.46 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.435 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.1 tp -90.35 117.74 29.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.448 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -137.61 42.01 2.34 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.517 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 99' ' ' TYR . 13.7 mptt 54.65 38.91 30.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.202 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 98' ' ' TYR . 23.2 p90 -76.72 26.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.45 ' H ' ' C ' ' A' ' 97' ' ' LYS . 89.9 t80 -55.37 -36.57 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.563 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.72 -37.76 79.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.53 98.01 11.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.624 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.0 m -142.66 -37.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.565 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -170.46 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.96 -38.63 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.79 -46.08 86.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.89 -45.04 94.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.466 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -79.61 128.84 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 50.1 ptt85 -104.88 -171.89 2.0 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.652 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 109' ' ' ASP . 53.2 p-10 -70.5 141.9 51.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.576 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.777 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -145.13 -178.01 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.63 -179.711 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 28.3 m -130.65 153.97 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.631 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.2 t -96.01 34.53 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.553 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -61.78 -42.13 98.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.484 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 58.4 t30 57.12 170.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.6 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 117' ' ' GLU . 66.5 t30 -74.68 122.63 23.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.622 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.1 91.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.474 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 99.4 mt-10 -86.2 139.24 31.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.478 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.532 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.0 144.03 57.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -84.88 146.26 45.62 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.42 -55.95 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.914 2.41 . . . . 0.0 112.167 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . 178.5 84.59 0.16 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.499 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -55.1 136.18 72.03 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.9 2.4 . . . . 0.0 112.141 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . 0.431 ' O ' ' NH1' ' B' ' 310' ' ' ARG . 43.7 mt-10 -62.09 -43.29 99.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.639 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.492 ' ND2' ' OE2' ' B' ' 329' ' ' GLU . 34.7 m120 -96.72 136.31 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' B' ' 308' ' ' GLU . 1.9 mpp_? -83.17 -6.45 59.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.511 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.728 ' CD1' HD21 ' A' ' 67' ' ' LEU . 12.9 m-85 -109.33 -171.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.521 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -153.9 45.68 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.513 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 13.0 mm -76.47 122.03 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.259 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 26.1 mtm -75.85 153.67 85.01 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.329 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.07 141.07 69.69 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.989 2.459 . . . . 0.0 112.181 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -84.34 149.1 24.61 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 74.0 m -64.45 -38.84 92.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.937 0.398 . . . . 0.0 110.624 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.53 2.01 8.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.557 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.8 t90 -60.69 -14.83 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.138 0.494 . . . . 0.0 111.123 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 53.97 2.13 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 72.01 16.55 76.67 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.523 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 72.6 t -74.24 141.25 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 110.658 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -68.13 145.41 54.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.54 ' NH1' ' O ' ' B' ' 327' ' ' GLY . 0.1 OUTLIER -139.08 151.71 46.94 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.565 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . 0.525 ' CB ' ' CE1' ' A' ' 75' ' ' PHE . 97.4 p -83.75 161.81 20.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.714 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.609 ' ND2' ' O ' ' A' ' 71' ' ' ASN . 73.0 m-80 54.86 39.09 31.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.711 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . 0.54 ' O ' ' NH1' ' B' ' 324' ' ' ARG . . . -154.97 5.12 0.25 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.86 -43.29 99.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.615 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.492 ' OE2' ' ND2' ' B' ' 309' ' ' ASN . 11.8 pt-20 -58.9 -20.97 56.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.8 -28.49 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.589 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -52.34 -36.51 53.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -62.78 -44.67 95.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -64.76 -35.68 81.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -58.75 -47.07 85.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -67.23 -37.37 83.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.287 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . 0.622 ' NE2' HD11 ' B' ' 339' ' ' ILE . 72.0 tp60 -60.69 -42.71 97.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.559 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -68.27 -36.06 78.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.936 0.398 . . . . 0.0 110.748 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.27 -44.12 92.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . 0.622 HD11 ' NE2' ' B' ' 336' ' ' GLN . 39.6 pt -76.79 -167.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.623 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 55.39 37.81 29.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -64.23 -40.54 96.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.444 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 60.9 pttt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.759 -179.871 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.26 29.64 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.7 mtp 52.1 -98.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.418 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.88 141.4 41.74 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -66.05 148.41 51.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.801 0.334 . . . . 0.0 110.705 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -131.71 146.35 52.12 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.916 0.389 . . . . 0.0 110.413 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -98.24 147.25 24.81 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.555 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -140.53 152.86 45.89 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 17.5 p-10 -74.97 -25.27 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.161 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 55.48 41.4 30.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.398 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.19 126.91 35.39 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.969 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -134.28 140.84 46.7 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.682 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.87 119.32 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 85' ' ' ASP . 85.2 t80 -82.75 122.48 28.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.202 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.006 HD11 HD12 ' A' ' 57' ' ' LEU . 80.1 mt -109.77 126.48 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.491 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.22 172.17 22.52 Favored Glycine 0 N--CA 1.468 0.787 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 55.27 37.86 29.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.8 0.333 . . . . 0.0 110.54 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -94.72 145.12 25.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -81.12 138.72 35.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -59.23 -21.3 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.654 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -66.33 -21.78 66.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -85.08 124.59 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.368 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -106.89 -171.81 1.96 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.97 -42.15 99.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.489 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.0 -41.15 98.7 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -62.25 -42.36 99.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.95 -41.59 90.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.388 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.34 -43.98 88.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.447 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.6 m -62.07 -42.75 99.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.457 HG22 ' CZ ' ' B' ' 324' ' ' ARG . 76.3 t -60.86 -50.76 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.022 0.439 . . . . 0.0 111.64 -178.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE2' HD13 ' A' ' 57' ' ' LEU . 30.0 m-85 -77.1 -18.63 57.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.213 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' B' ' 319' ' ' TRP . 8.8 t -64.77 -17.26 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.133 0.492 . . . . 0.0 111.975 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.85 -35.7 79.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.061 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -123.74 41.3 3.52 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.2 81.96 1.39 Allowed Glycine 0 N--CA 1.477 1.414 0 C-N-CA 119.626 -1.273 . . . . 0.0 113.075 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.473 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 15.0 p -55.63 133.37 71.7 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-O 121.006 0.431 . . . . 0.0 110.517 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.8 149.13 85.17 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 123.068 2.512 . . . . 0.0 112.302 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.7 p -92.8 -25.61 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.896 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 40' ' ' VAL . 66.2 t0 -153.6 130.78 11.14 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 21.0 t -124.22 129.33 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' C ' HD22 ' A' ' 42' ' ' LEU . 77.1 mt -105.38 121.17 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 120.925 0.393 . . . . 0.0 110.944 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 4.1 mm? -100.34 108.76 20.88 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.9 t -74.56 113.63 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -132.53 143.51 49.78 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.872 0.367 . . . . 0.0 110.455 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 49' ' ' GLY . 98.0 m-20 -79.83 130.28 35.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -68.48 -20.77 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -62.96 -39.8 95.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.602 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.51 -41.32 1.08 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.813 0.34 . . . . 0.0 110.713 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 73.48 31.14 61.28 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -132.99 140.63 47.86 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.798 0.333 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 t 66.46 109.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.426 ' HG3' ' H ' ' A' ' 53' ' ' GLY . 1.1 pt20 -90.0 -65.78 0.99 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.974 0.416 . . . . 0.0 110.58 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.426 ' H ' ' HG3' ' A' ' 52' ' ' GLN . . . 92.33 -15.09 63.03 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -167.32 160.79 13.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.744 0.307 . . . . 0.0 110.695 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.64 165.55 35.19 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.798 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -115.73 142.6 46.53 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.006 HD12 HD11 ' A' ' 15' ' ' ILE . 1.5 mt -118.66 131.41 56.16 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.501 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -131.06 113.3 13.76 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.19 0.306 . . . . 0.0 110.532 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 16.5 t80 -115.94 146.74 41.83 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.313 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -53.46 -19.03 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -120.55 121.93 39.47 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.857 0.36 . . . . 0.0 110.727 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -77.79 -21.08 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.783 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -62.69 -29.25 70.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -59.56 -31.01 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.574 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.4 p -60.45 -36.19 77.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.525 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.08 -48.43 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.675 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.525 ' CD1' HD12 ' B' ' 313' ' ' ILE . 34.1 mt -64.09 -38.01 89.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.004 0.431 . . . . 0.0 110.574 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.44 65.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.324 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.53 -19.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.043 0.449 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 52.8 t0 -71.54 -32.59 68.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -116.02 -40.0 3.37 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.94 -26.1 56.56 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -67.74 121.12 15.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.934 0.397 . . . . 0.0 110.461 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.35 11.6 84.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -104.46 133.0 50.07 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.775 0.322 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -79.82 112.73 17.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.62 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 77' ' ' ILE . 1.2 tp -96.47 118.64 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.538 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 77' ' ' ILE . . . 24.01 57.03 0.05 OUTLIER Glycine 0 N--CA 1.474 1.228 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.34 -113.94 1.23 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -91.54 171.12 9.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.817 0.342 . . . . 0.0 110.974 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.11 138.6 34.74 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.027 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -89.51 154.14 20.25 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.113 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -99.51 117.74 34.56 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.9 mm -111.69 126.14 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.1 t0 -157.94 149.79 21.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.685 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -83.51 151.0 25.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.264 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 t -146.08 157.04 43.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -104.19 11.82 34.55 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.242 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.432 ' CZ ' ' O ' ' A' ' 90' ' ' ARG . 32.7 t80 -48.27 132.51 16.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.432 ' O ' ' CZ ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -79.9 141.25 54.85 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.439 ' O ' ' O ' ' A' ' 92' ' ' LYS . 68.2 Cg_endo -76.43 164.77 30.25 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 123.06 2.507 . . . . 0.0 112.052 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 91' ' ' PRO . 88.9 tttt 58.07 122.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 61.41 151.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 96' ' ' GLN . 55.2 m -109.23 -166.83 1.14 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.853 0.359 . . . . 0.0 110.399 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.513 ' H ' HD23 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -70.28 38.47 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' A' ' 94' ' ' SER . 97.3 mt-30 -62.63 -39.8 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -142.97 82.66 1.77 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.373 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -83.17 54.02 2.65 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.577 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -49.86 -30.52 10.12 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.978 0.418 . . . . 0.0 110.844 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.22 -38.57 80.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.605 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.38 -23.42 30.11 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.976 0.417 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.554 ' O ' ' O ' ' A' ' 103' ' ' LYS . 69.1 t -62.88 -39.01 83.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.648 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.554 ' O ' ' O ' ' A' ' 102' ' ' VAL . 18.6 ptmt -48.56 -165.58 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.065 0.459 . . . . 0.0 111.292 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -41.96 -20.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.866 0.365 . . . . 0.0 111.086 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 103' ' ' LYS . 59.2 mm-40 -56.39 -43.78 79.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.697 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 105' ' ' GLU . 3.5 mm? -115.73 -29.38 6.44 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 102' ' ' VAL . 95.8 m-20 -62.05 -21.29 64.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.615 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.34 -20.33 42.53 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.532 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 110' ' ' ILE . 37.1 p-10 -59.74 -39.47 84.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.963 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.481 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 29.1 pt -91.86 21.99 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.785 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 112' ' ' SER . 59.4 t -127.37 -35.33 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.713 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.455 ' O ' ' O ' ' A' ' 111' ' ' VAL . 57.9 p -46.47 -100.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 113' ' ' LYS . 3.7 mptp? 55.2 81.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.17 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.7 m120 59.09 -122.22 1.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.404 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -59.13 -110.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -130.74 102.14 5.97 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.368 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 51.16 96.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.579 179.851 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.1 138.94 58.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.489 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . 0.527 ' HD3' ' H ' ' B' ' 304' ' ' LYS . 0.7 OUTLIER -67.71 149.57 98.22 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -179.694 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.42 -39.82 63.4 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 C-N-CA 122.835 2.357 . . . . 0.0 112.264 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.644 ' HB3' ' CD ' ' B' ' 307' ' ' PRO . . . -175.31 -61.12 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.573 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . 0.644 ' CD ' ' HB3' ' B' ' 306' ' ' ALA . 16.1 Cg_endo -56.54 165.15 4.8 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 123.052 2.502 . . . . 0.0 111.912 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 65.24 103.91 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' B' ' 309' ' ' ASN . 10.7 p-10 -72.07 146.29 47.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.692 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -86.87 -46.55 9.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.71 106.38 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.731 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -79.48 89.67 5.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . 0.525 HD12 ' CD1' ' A' ' 67' ' ' LEU . 65.1 mt -90.61 133.08 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 15.2 mmt -61.67 144.01 93.31 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.44 157.4 56.55 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.939 2.426 . . . . 0.0 112.188 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -93.99 153.47 21.17 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 71.0 m -62.07 -38.17 87.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 0.0 110.782 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -58.55 -13.64 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.546 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 19.7 t90 -61.66 -16.4 48.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.228 0.537 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 55.29 1.67 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 70.48 21.41 77.55 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 44.0 t -68.47 147.22 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.318 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -68.53 111.29 4.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.457 ' CZ ' HG22 ' A' ' 30' ' ' VAL . 39.8 mmt180 -134.05 149.84 51.17 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.878 0.37 . . . . 0.0 110.226 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 17.2 t -84.92 105.55 15.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.692 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.839 HD22 ' H ' ' B' ' 327' ' ' GLY . 0.0 OUTLIER 170.19 -44.4 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . 0.839 ' H ' HD22 ' B' ' 326' ' ' ASN . . . -102.07 7.56 54.89 Favored Glycine 0 N--CA 1.465 0.583 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -62.97 -38.74 92.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.054 0.454 . . . . 0.0 110.753 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' B' ' 329' ' ' GLU . 48.2 mp0 -60.15 -19.5 54.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.061 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' B' ' 331' ' ' LYS . 21.1 pt-20 -43.76 -41.75 5.09 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.95 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' B' ' 330' ' ' GLU . 11.0 ptpt -71.3 -33.84 70.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.394 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -62.16 -47.41 84.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -64.19 -38.75 92.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.252 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.46 96.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -62.03 -41.77 98.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.196 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -64.43 -39.14 93.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 110.159 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -62.78 -39.03 92.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.073 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.42 -28.82 67.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.25 -41.69 92.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.721 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -98.65 18.06 17.73 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.84 0.352 . . . . 0.0 111.248 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -137.78 109.57 7.12 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.984 0.421 . . . . 0.0 110.289 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 19.6 tptm . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.593 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.11 83.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.59 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.1 ttp -57.54 131.74 51.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.06 -99.86 1.58 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.88 45.2 24.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 56.7 mp0 -60.36 -108.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 57.84 38.39 27.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.607 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.508 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 56.9 mtmt -89.25 -48.71 7.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.1 t0 46.43 38.38 5.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 8' ' ' LYS . 78.3 m-20 -156.0 58.61 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.823 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.84 126.91 38.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.635 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -130.15 161.41 31.18 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.506 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -136.56 131.01 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.136 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -91.33 130.66 37.16 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.495 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.86 HD11 HD12 ' A' ' 57' ' ' LEU . 60.4 mt -109.61 123.84 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.87 172.83 17.09 Favored Glycine 0 N--CA 1.467 0.726 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 54.38 38.55 29.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.876 0.37 . . . . 0.0 110.764 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.35 141.81 35.66 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.538 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -78.45 140.97 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.26 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.28 -24.71 66.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.18 -29.1 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.4 132.13 47.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -107.34 170.91 7.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.12 -41.24 96.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.33 -43.22 98.71 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.65 -44.73 95.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.788 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.49 -43.92 97.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.489 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 32' ' ' SER . 15.4 mt -57.14 -43.74 82.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.297 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.415 HG23 ' O ' ' B' ' 319' ' ' TRP . 94.4 m -63.06 -40.4 97.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.87 0.367 . . . . 0.0 110.499 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.3 -48.8 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.022 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -85.87 -14.59 44.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.213 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' LEU . 4.1 t -44.92 -53.86 7.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.72 -178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -66.88 -38.24 85.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 111.676 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.575 ' OH ' ' ND2' ' B' ' 326' ' ' ASN . 62.6 m-85 -81.51 33.52 0.36 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.566 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' CZ ' ' A' ' 59' ' ' TYR . . . 96.09 74.05 1.2 Allowed Glycine 0 N--CA 1.465 0.59 0 C-N-CA 119.962 -1.113 . . . . 0.0 111.185 -179.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.1 p -53.24 126.11 44.29 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 121.082 0.467 . . . . 0.0 111.021 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.9 162.4 37.39 Favored 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 123.323 2.682 . . . . 0.0 112.332 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -90.91 -16.17 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -165.52 156.8 14.18 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.93 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 t -134.06 137.04 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.1 mt -115.91 118.98 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -113.79 127.76 56.14 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.4 m -70.06 132.24 45.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.705 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -157.12 148.2 21.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.527 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' A' ' 49' ' ' GLY . 70.0 m-20 -86.67 129.27 34.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.384 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.35 -17.1 64.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.571 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.63 -43.01 98.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.5 p -127.53 -27.75 2.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.885 0.374 . . . . 0.0 111.065 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 94.2 7.25 60.98 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.08 146.4 43.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.653 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.0 m -69.51 145.35 52.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -92.88 0.31 57.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.667 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.43 8.97 76.69 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -121.57 149.68 42.78 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.144 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.5 140.62 15.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -121.19 125.08 46.26 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.136 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.86 HD12 HD11 ' A' ' 15' ' ' ILE . 3.8 mt -92.07 143.44 26.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.056 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -108.44 101.71 10.87 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 1.2 m-85 -100.05 132.83 45.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -70.2 -40.83 74.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.986 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -108.45 130.88 55.24 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.408 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' OG1' ' A' ' 65' ' ' THR . 18.5 pt20 -77.29 -19.06 56.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -70.78 -41.14 72.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 110.937 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -63.16 -36.14 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.823 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 69' ' ' VAL . 70.8 p -51.81 -34.88 42.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.476 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.49 -43.21 98.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 120.817 0.341 . . . . 0.0 110.454 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 27.5 mt -59.9 -50.93 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.052 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.31 79.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 65' ' ' THR . 51.1 t -56.76 -67.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.292 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.37 -36.17 82.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.877 0.37 . . . . 0.0 111.763 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 99.1 m-20 -62.78 -49.82 73.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.8 mm? -85.5 -28.38 25.01 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.832 0.349 . . . . 0.0 111.68 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 34.2 t30 -62.66 118.76 8.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.563 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.48 -18.86 34.86 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -86.94 133.3 33.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.827 0.346 . . . . 0.0 110.323 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -88.6 126.67 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.247 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.45 HD12 HD21 ' A' ' 82' ' ' LEU . 72.7 mt -135.66 129.53 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.413 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.09 19.09 79.83 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.41 -4.69 85.23 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -134.95 158.09 45.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.69 116.98 29.5 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.468 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -67.04 154.85 40.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.269 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -117.06 121.37 41.13 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.775 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mm -102.29 121.98 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 66.0 t0 -136.64 140.02 42.48 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.712 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.495 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 38.8 m170 -63.92 140.08 58.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.446 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.638 HG22 ' H ' ' A' ' 89' ' ' TYR . 95.0 m -125.94 130.97 52.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.573 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -105.13 7.25 33.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.638 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.638 ' H ' HG22 ' A' ' 87' ' ' THR . 87.7 t80 -59.55 129.9 44.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.466 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.446 ' O ' ' CE2' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -86.27 147.99 46.14 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 -179.69 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.49 167.91 25.06 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.958 2.439 . . . . 0.0 112.09 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -128.52 150.01 50.35 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.538 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 73.2 mmt-85 -92.92 -107.88 0.11 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.326 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.5 t -151.91 138.61 18.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.544 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.04 -13.53 60.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.692 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -63.73 130.22 43.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt 43.55 32.01 0.49 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.708 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -122.39 102.65 8.23 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.372 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -176.86 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.462 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -74.36 -33.93 63.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.92 79.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 103' ' ' LYS . 8.8 p -70.93 -40.8 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.613 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 102' ' ' VAL . 87.4 tttt -62.78 -45.84 90.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -69.57 -33.57 72.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.404 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.51 -45.15 85.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 107' ' ' ASP . 1.6 pp -95.9 -45.0 7.13 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.753 0.311 . . . . 0.0 110.546 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 108' ' ' ARG . 29.8 t0 38.61 -159.19 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.765 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.5 ' H ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -147.19 -0.18 0.69 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.906 0.384 . . . . 0.0 110.544 179.778 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' OD1' ' OD2' ' A' ' 107' ' ' ASP . 37.2 p-10 -91.22 3.26 55.29 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 92.2 mt -102.21 97.93 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 120.76 0.314 . . . . 0.0 110.473 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' A' ' 113' ' ' LYS . 11.2 m -146.46 6.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.685 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.4 m 65.92 -4.07 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 111' ' ' VAL . 2.2 tppp? -63.5 -46.3 86.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.134 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 56.36 27.62 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.557 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 49.69 42.44 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.691 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.15 145.16 25.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.609 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -139.45 150.53 45.32 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.695 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.377 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -76.47 121.87 23.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.477 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -66.01 127.35 93.11 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.007 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.76 161.93 40.64 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 123.028 2.486 . . . . 0.0 112.11 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.53 130.14 91.77 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.063 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.98 139.09 20.72 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.96 2.44 . . . . 0.0 112.107 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 59.96 -132.45 0.89 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.341 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -82.25 130.24 35.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.765 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -89.71 -40.47 12.5 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.15 0.5 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 0.0 OUTLIER -82.99 111.93 19.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.014 -179.379 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -94.41 78.12 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.502 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.42 134.89 27.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.176 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 21.2 mmt -78.76 121.31 83.35 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.385 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.46 139.58 45.92 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 123.106 2.537 . . . . 0.0 112.319 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -97.59 166.94 23.05 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 60.0 p -68.31 -23.49 64.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.708 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -63.42 -21.18 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.996 0.427 . . . . 0.0 110.713 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.557 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.3 t90 -61.23 -18.11 56.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.049 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 56.27 0.06 0.06 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 73.68 16.05 79.23 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.44 149.25 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 110.387 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . 0.491 ' N ' ' ND1' ' B' ' 323' ' ' HIS . 0.0 OUTLIER -67.03 138.45 57.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.714 -179.554 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.15 147.71 38.88 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.485 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 58.0 m -121.92 139.42 53.67 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.337 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.575 ' ND2' ' OH ' ' A' ' 34' ' ' TYR . 7.2 p30 -150.79 -7.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . 162.21 126.73 0.84 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' B' ' 330' ' ' GLU . 71.4 t80 -61.8 -48.76 79.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.791 0.329 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' B' ' 332' ' ' TRP . 15.3 pm0 -43.46 -22.03 0.04 OUTLIER 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 111.048 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' B' ' 328' ' ' PHE . 14.7 tm-20 -56.14 -19.98 15.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.077 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' B' ' 332' ' ' TRP . 0.0 OUTLIER -57.91 -47.72 82.01 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.511 -179.104 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' B' ' 329' ' ' GLU . 68.8 p-90 -85.29 -23.3 28.21 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 111.194 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -65.62 -37.1 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.574 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.18 -47.96 83.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.502 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -67.16 -43.51 82.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.162 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -61.2 -48.6 80.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.685 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -65.94 -38.06 87.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.712 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.74 -43.22 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.04 -48.76 87.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.199 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 64.7 t30 45.54 47.0 11.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.634 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 56.46 100.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.574 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.01 148.14 25.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.908 0.385 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.8 mtt 53.14 46.53 26.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.644 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.32 170.17 43.31 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -135.04 164.84 26.73 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 110.565 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.5 mp0 -62.37 -43.79 98.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -172.43 148.09 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.612 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.55 145.9 46.86 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.788 0.328 . . . . 0.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -145.95 35.61 1.02 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.741 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.423 ' O ' ' CE1' ' A' ' 12' ' ' TYR . 31.5 m120 -101.49 16.55 25.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.366 . . . . 0.0 110.67 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.709 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . . . -72.73 143.53 47.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.517 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.423 ' CE1' ' O ' ' A' ' 10' ' ' ASN . 95.0 m-85 -129.13 146.64 51.02 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.688 0.28 . . . . 0.0 110.986 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -97.92 121.73 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -81.62 121.03 25.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.802 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -111.31 118.63 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -116.14 179.07 17.75 Favored Glycine 0 N--CA 1.47 0.959 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 81' ' ' ALA . 11.0 t30 56.16 43.76 26.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.773 0.32 . . . . 0.0 110.237 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 27' ' ' ILE . 4.6 tt -96.37 122.15 38.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.397 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.416 ' ND2' ' CG ' ' A' ' 21' ' ' GLU . 65.8 t30 -77.51 143.13 38.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.692 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -58.93 -18.29 32.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.445 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' CG ' ' ND2' ' A' ' 19' ' ' ASN . 81.1 mm-40 -67.06 -29.61 69.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -84.59 133.58 34.42 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.498 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 26' ' ' ASP . 6.6 t -107.78 -179.22 3.84 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.94 -40.51 97.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.82 -41.19 99.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.492 ' H ' HG23 ' A' ' 23' ' ' THR . 27.6 t70 -63.38 -43.23 98.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.47 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 18' ' ' LEU . 86.5 mt -61.08 -43.63 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.211 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 32' ' ' SER . 13.1 mt -57.63 -46.51 84.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.324 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.463 HG23 ' O ' ' B' ' 319' ' ' TRP . 99.0 m -59.15 -42.01 89.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.109 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.06 -49.71 83.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.413 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' A' ' 57' ' ' LEU . 54.5 m-85 -82.41 -14.52 55.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.88 0.372 . . . . 0.0 111.507 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LEU . 47.3 t -50.15 -55.88 13.26 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.82 -17.63 64.04 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.086 0.47 . . . . 0.0 111.761 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -106.99 33.03 4.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.57 71.82 1.03 Allowed Glycine 0 C--N 1.338 0.661 0 C-N-CA 119.817 -1.182 . . . . 0.0 111.249 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.0 p -52.85 125.41 39.05 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.795 -177.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 59.1 Cg_endo -73.7 159.27 45.94 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 123.257 2.638 . . . . 0.0 111.983 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.8 m -95.15 -16.22 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.448 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -160.66 133.45 6.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.707 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.9 t -125.98 124.06 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 120.735 0.303 . . . . 0.0 110.381 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.6 mt -98.65 120.67 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.286 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.552 HD12 ' CB ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -109.09 109.66 20.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.145 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -71.33 132.95 45.62 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.489 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -137.61 145.81 43.22 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.587 ' OD1' ' NE2' ' A' ' 52' ' ' GLN . 99.6 m-20 -74.4 129.63 38.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.361 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -64.9 -21.92 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.734 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -69.23 -44.24 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.4 p -113.42 -44.78 3.19 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.83 0.347 . . . . 0.0 111.144 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 83.98 7.04 86.06 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -67.23 -83.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.943 0.402 . . . . 0.0 110.422 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.3 t -166.76 144.18 4.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.587 ' NE2' ' OD1' ' A' ' 45' ' ' ASP . 7.8 mm-40 -83.58 -14.72 51.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.767 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.26 -3.72 60.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -150.34 160.56 43.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 110.428 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.552 ' CB ' HD12 ' A' ' 42' ' ' LEU . . . -155.74 164.87 38.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.541 ' CD1' ' CE1' ' A' ' 89' ' ' TYR . 94.1 m-85 -104.95 137.23 43.03 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.759 0.314 . . . . 0.0 110.447 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 31' ' ' PHE . 6.6 tt -111.37 126.12 54.58 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.025 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 0.9 OUTLIER -98.41 109.01 21.84 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.962 0.411 . . . . 0.0 110.267 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.709 ' OH ' ' HB3' ' A' ' 11' ' ' ALA . 30.7 p90 -98.31 160.6 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.04 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -89.72 -44.42 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 68.0 m-20 -109.12 141.02 41.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.737 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -64.51 -32.26 73.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.961 0.41 . . . . 0.0 110.636 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -59.99 -24.37 64.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.668 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.2 p -63.54 -35.56 80.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.449 ' O ' HG12 ' A' ' 69' ' ' VAL . 43.4 p -64.07 -39.73 94.71 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.663 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.86 -43.81 97.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.278 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' B' ' 311' ' ' PHE . 14.2 mt -57.23 -51.87 67.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.823 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.64 -61.46 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.022 0.439 . . . . 0.0 111.796 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 65' ' ' THR . 3.1 p -49.38 -19.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.049 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -85.9 -49.28 7.99 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -98.58 -38.21 9.24 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 3.0 mm? -75.74 -14.84 60.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.037 0.446 . . . . 0.0 111.212 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -79.56 113.88 18.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.756 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.18 7.64 79.77 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -86.67 129.06 35.01 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.904 0.383 . . . . 0.0 110.687 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.43 119.11 19.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.759 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ILE . 14.6 tt -137.63 126.63 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.422 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.87 17.11 73.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.66 81.13 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -122.27 146.16 47.55 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.828 0.347 . . . . 0.0 110.604 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.531 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -77.44 138.54 39.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.416 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mt -81.69 144.07 31.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.793 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -129.55 101.64 6.02 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.11 135.92 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.418 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 56.4 t0 -154.04 141.45 19.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.635 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.43 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 42.5 m170 -75.58 141.54 42.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.701 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.4 t -146.24 150.0 34.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.626 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -118.8 24.42 10.87 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.541 ' CE1' ' CD1' ' A' ' 56' ' ' TYR . 1.5 p90 -58.36 134.13 56.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.295 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -69.01 145.98 96.97 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.061 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.49 143.46 47.39 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 122.94 2.427 . . . . 0.0 112.173 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 48.99 45.05 22.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -158.28 -62.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.445 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.7 m 52.27 45.71 27.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.627 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.414 ' CG ' ' H ' ' A' ' 96' ' ' GLN . 4.0 tp -140.77 -137.79 0.12 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.628 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.414 ' H ' ' CG ' ' A' ' 95' ' ' LEU . 19.5 tm0? 64.45 117.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.205 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.1 tttp 53.72 82.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.241 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.431 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 3.4 t80 -100.79 105.93 17.29 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.506 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 102' ' ' VAL . 2.6 m-85 -167.13 -66.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.039 0.447 . . . . 0.0 110.512 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.81 -38.7 92.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.612 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.29 -26.35 64.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.642 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 99' ' ' TYR . 94.4 t -39.77 146.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.472 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -61.08 166.54 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 57.56 41.26 26.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.357 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -87.19 -103.75 0.07 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.048 0.451 . . . . 0.0 110.431 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.55 -37.02 84.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.543 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.76 -8.91 3.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.597 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -59.0 -41.63 88.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.435 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -99.35 97.69 8.72 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.813 0.339 . . . . 0.0 110.977 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.8 mt -135.17 121.67 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.35 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 113' ' ' LYS . 34.2 m -98.65 -38.85 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.582 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 111' ' ' VAL . 10.5 t 55.18 5.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.603 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 111' ' ' VAL . 55.4 mtmt -139.54 145.94 39.3 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.631 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -103.53 177.41 4.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.453 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -97.51 93.44 6.45 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.255 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 118' ' ' LYS . . . -61.89 -42.97 99.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.74 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 69.15 -37.87 0.38 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.718 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 116' ' ' ALA . 61.9 pttt . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.579 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.66 145.34 56.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -90.7 123.04 66.17 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.961 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -75.43 160.45 38.71 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 123.182 2.588 . . . . 0.0 112.268 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.612 ' HB3' ' HD3' ' B' ' 307' ' ' PRO . . . -94.12 -46.17 0.29 Allowed Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.499 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' B' ' 306' ' ' ALA . 31.4 Cg_exo -58.95 147.75 88.18 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.897 2.398 . . . . 0.0 112.183 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' B' ' 309' ' ' ASN . 54.1 mt-10 -63.75 122.49 16.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.432 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' B' ' 308' ' ' GLU . 91.8 m-20 -149.48 136.36 19.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.757 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' B' ' 329' ' ' GLU . 72.9 mtm180 -86.88 -47.74 8.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.155 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.502 ' CD1' HD21 ' A' ' 67' ' ' LEU . 92.7 m-85 -148.69 -177.74 5.95 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.886 0.374 . . . . 0.0 110.464 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -134.04 68.56 1.48 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.83 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 24.2 mm -99.29 125.19 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . . . . . . . . . 6.1 ptp -72.34 149.93 91.62 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -70.68 151.2 63.65 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.918 2.412 . . . . 0.0 112.003 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -110.26 157.05 15.25 Favored Glycine 0 N--CA 1.468 0.828 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 45.8 t -62.23 -39.26 92.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 110.472 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.73 -10.22 34.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.496 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.564 ' C ' ' H ' ' B' ' 321' ' ' GLY . 17.7 t90 -61.54 -16.63 49.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.337 0.589 . . . . 0.0 111.077 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 55.05 1.02 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.768 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 75.03 16.74 80.43 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.528 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 82.0 t -76.14 140.04 17.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.525 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.35 125.93 33.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -137.44 108.19 6.63 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 81.8 p -159.06 166.01 32.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.576 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -136.3 119.67 16.85 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.359 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -67.24 -15.08 65.03 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -60.07 -27.81 67.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.852 0.358 . . . . 0.0 110.476 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.491 ' OE1' ' NH1' ' B' ' 310' ' ' ARG . 19.2 pt-20 -62.17 -21.15 64.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.622 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -49.13 -28.97 4.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.46 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -56.85 -34.36 67.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.715 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -62.61 -48.85 77.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.775 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -63.69 -39.05 93.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.18 94.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.198 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -72.38 -34.15 67.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -61.04 -30.42 70.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -83.2 -42.28 17.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.659 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.28 -43.26 70.8 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 50.0 mm 47.48 88.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.811 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -153.53 117.15 4.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.491 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 57.55 99.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.21 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.514 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.79 49.36 20.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.494 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.4 tpp -65.42 127.02 30.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.07 -112.02 0.02 OUTLIER Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 7' ' ' TYR . 80.0 m-20 53.89 38.06 27.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.644 0.259 . . . . 0.0 110.386 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 46.68 19.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.486 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.403 ' N ' ' C ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER -102.29 -64.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.668 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -102.66 97.36 7.56 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.567 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -158.22 -130.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.841 0.353 . . . . 0.0 110.459 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -82.24 61.46 5.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.387 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.643 ' HB1' ' CZ ' ' A' ' 59' ' ' TYR . . . -88.67 117.06 27.37 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.508 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 11' ' ' ALA . 38.1 m-85 -153.17 153.23 32.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 13' ' ' ILE . 1.3 mt -110.87 130.75 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -86.27 125.78 33.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.3 mt -121.85 125.24 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.355 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.38 178.45 17.36 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 57.05 40.54 28.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.814 0.34 . . . . 0.0 110.616 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -100.7 153.75 19.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.477 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.435 ' OD1' ' OE2' ' A' ' 21' ' ' GLU . 1.2 m-80 -74.59 136.29 42.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.296 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -60.43 -44.37 95.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.747 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' OE2' ' OD1' ' A' ' 19' ' ' ASN . 18.7 pm0 -66.87 -11.87 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.494 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.73 126.61 28.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.467 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 26' ' ' ASP . 8.8 t -104.23 172.36 6.84 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.665 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -61.71 -36.32 80.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.462 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.03 -45.81 93.37 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.5 m-20 -64.67 -44.97 88.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.544 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.46 -43.96 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 32' ' ' SER . 16.9 mt -58.22 -42.79 87.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.4 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.575 HG23 ' O ' ' B' ' 319' ' ' TRP . 26.3 m -63.54 -41.42 98.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.353 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 26' ' ' ASP . 97.0 t -67.49 -45.13 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.956 0.407 . . . . 0.0 111.014 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -86.2 -14.88 42.64 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 111.113 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 28' ' ' LEU . 1.7 m -47.81 -57.16 5.97 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.036 0.446 . . . . 0.0 111.502 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -69.87 -30.26 67.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.253 0.549 . . . . 0.0 111.106 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -90.31 34.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.182 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.49 73.32 1.13 Allowed Glycine 0 N--CA 1.465 0.583 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.481 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -54.37 118.9 17.72 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-O 120.958 0.409 . . . . 0.0 110.67 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 60.2 Cg_endo -75.15 159.14 41.14 Favored 'Trans proline' 0 N--CA 1.505 2.161 0 C-N-CA 123.676 2.917 . . . . 0.0 111.803 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 38' ' ' VAL . 15.1 m -92.62 -22.25 5.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.518 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -150.09 142.17 24.0 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.733 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.1 t -135.16 132.82 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.766 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.3 mt -117.46 123.15 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-O 120.692 0.282 . . . . 0.0 110.696 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.75 143.11 40.02 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.773 0.32 . . . . 0.0 110.62 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 50' ' ' GLU . 29.8 t -59.05 157.59 9.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 50' ' ' GLU . 84.4 mtp180 -104.55 154.91 19.32 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.781 0.324 . . . . 0.0 110.788 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 52.7 t0 -50.37 147.6 4.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.746 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 3.2 pp20? -65.44 -21.96 66.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.65 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -64.84 -45.22 87.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 49' ' ' GLY . 10.2 t -89.04 -39.23 13.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.67 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' N ' HG23 ' A' ' 48' ' ' THR . . . -147.19 -112.5 0.71 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 44' ' ' ARG . 10.7 pt-20 -134.6 134.78 41.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.576 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.619 ' C ' ' H ' ' A' ' 53' ' ' GLY . 78.2 p -99.15 -67.1 0.86 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.464 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 62.94 -32.19 0.1 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 120.844 0.354 . . . . 0.0 110.615 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.619 ' H ' ' C ' ' A' ' 51' ' ' SER . . . 86.9 42.58 6.3 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -129.13 160.2 33.61 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.958 0.408 . . . . 0.0 110.38 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.69 153.91 32.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CE2' ' CE2' ' A' ' 89' ' ' TYR . 61.9 m-85 -106.88 145.15 32.52 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.285 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -123.63 132.14 53.79 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.994 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 84.5 tttt -105.45 107.71 18.84 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 110.319 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.643 ' CZ ' ' HB1' ' A' ' 11' ' ' ALA . 28.3 p90 -96.94 158.31 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.815 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -88.73 -38.56 14.62 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 10.0 p-10 -116.38 140.05 49.76 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.783 0.325 . . . . 0.0 110.628 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -62.63 -29.66 70.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -59.36 -26.6 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.717 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.7 m -60.11 -37.92 81.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.1 p -63.51 -40.17 96.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.04 -42.29 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.091 0.472 . . . . 0.0 110.796 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.924 HD21 ' CD1' ' B' ' 311' ' ' PHE . 47.9 mt -65.89 -38.79 89.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.071 0.463 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.98 65.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.092 0.472 . . . . 0.0 111.191 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.39 -19.32 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.156 0.503 . . . . 0.0 110.612 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.96 -46.31 62.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.804 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' B' ' 325' ' ' SER . 54.7 t30 -115.82 -42.55 3.08 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -177.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.08 10.72 1.77 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.926 0.393 . . . . 0.0 111.196 -177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -86.62 110.51 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.35 9.08 87.32 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -54.26 131.26 41.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.6 0.238 . . . . 0.0 110.467 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.46 106.02 15.73 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.4 mt -141.35 125.42 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.906 0.384 . . . . 0.0 110.278 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.53 18.52 79.96 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.36 3.56 89.93 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -125.31 153.39 43.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 110.566 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.52 124.48 40.53 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.03 142.84 58.23 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.786 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -118.67 101.6 8.23 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.096 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.0 mm -98.26 132.75 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.634 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.62 143.45 14.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.688 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -73.53 145.62 45.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.573 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -147.35 146.38 29.64 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.68 8.5 44.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.326 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.632 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 64.3 t80 -54.5 127.9 29.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.506 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.513 ' H ' ' CD ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -79.39 152.84 76.26 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.22 145.77 73.61 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 123.106 2.537 . . . . 0.0 111.86 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.59 53.57 1.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.631 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -61.16 -41.41 96.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.425 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.4 m -161.65 65.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.565 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 95' ' ' LEU . 10.5 mp 53.75 40.48 31.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.372 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -74.51 139.88 44.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.636 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 47.89 28.02 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.99 -37.02 86.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.539 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -55.38 -44.9 76.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.142 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -69.45 -32.92 72.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.504 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.1 94.85 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.4 m -73.77 -31.68 32.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.577 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -62.73 -49.41 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -70.12 -40.24 74.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.03 -42.14 99.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.19 -40.32 97.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.429 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -85.18 82.77 8.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.588 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.94 -40.31 97.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.492 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -167.62 157.68 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.8 pt -120.67 143.55 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 67.4 t -128.25 128.17 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.608 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.3 t -172.37 54.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.489 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 117' ' ' GLU . 9.2 ptmm? -163.34 -39.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -63.83 -37.6 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.657 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -91.88 18.52 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.686 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.58 -69.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 113' ' ' LYS . 98.9 mt-10 -62.32 -40.14 95.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.692 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.645 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.19 139.09 58.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.389 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -83.28 120.63 76.07 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . 0.4 ' HG2' ' H ' ' B' ' 306' ' ' ALA . 59.9 Cg_endo -76.01 -82.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.508 2.346 0 C-N-CA 123.541 2.827 . . . . 0.0 111.963 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' B' ' 307' ' ' PRO . . . -161.89 161.17 21.99 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' B' ' 306' ' ' ALA . 36.6 Cg_endo -65.28 166.37 19.37 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 123.112 2.541 . . . . 0.0 111.862 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . 0.417 ' H ' ' CD ' ' B' ' 308' ' ' GLU . 28.8 mp0 -55.05 -44.53 74.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.61 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -72.31 150.88 43.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.37 -40.91 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.74 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.924 ' CD1' HD21 ' A' ' 67' ' ' LEU . 11.5 m-85 -103.5 -169.67 1.68 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.892 0.377 . . . . 0.0 110.328 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -123.89 45.38 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . . . . . . . . . 23.8 mm -89.63 116.17 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.136 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.2 OUTLIER -77.5 147.82 75.95 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.36 165.4 31.79 Favored 'Trans proline' 0 N--CA 1.503 2.031 0 C-N-CA 123.404 2.736 . . . . 0.0 111.978 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -135.43 171.14 22.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 42.7 t -69.79 -41.16 75.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.021 0.439 . . . . 0.0 110.87 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -60.21 -23.48 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.61 ' C ' ' H ' ' B' ' 321' ' ' GLY . 19.5 t90 -59.07 -20.79 56.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 110.787 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.29 -28.57 0.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.61 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 100.4 15.1 30.88 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.421 ' CG1' HG22 ' A' ' 29' ' ' THR . 4.3 p -62.84 138.6 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.614 0.245 . . . . 0.0 110.561 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -82.83 129.63 35.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.803 0.335 . . . . 0.0 110.575 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.725 ' NE ' ' H ' ' B' ' 324' ' ' ARG . 0.0 OUTLIER -135.99 108.45 7.38 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.343 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . 0.461 ' HA ' HD21 ' A' ' 71' ' ' ASN . 66.8 m -154.43 124.53 6.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.648 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -171.98 61.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.396 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -140.86 168.61 25.23 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -63.27 -24.26 67.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.726 0.298 . . . . 0.0 110.732 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -61.37 -18.71 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.133 0.492 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.18 -37.56 69.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.5 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.413 ' CG ' ' N ' ' B' ' 332' ' ' TRP . 54.7 pttt -60.97 -38.12 84.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.366 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . 0.413 ' N ' ' CG ' ' B' ' 331' ' ' LYS . 76.9 t90 -61.74 -48.08 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.321 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -65.08 -38.93 92.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.372 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.85 98.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.687 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -60.75 -44.37 96.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.391 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -64.02 -40.96 97.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.438 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -66.15 -35.21 79.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.98 -43.11 99.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.685 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . . . . . . . . . 40.1 pt -87.26 21.15 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.904 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -86.01 -110.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.744 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.71 -0.5 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.755 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 13.9 tptm . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.56 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.96 140.58 58.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.786 0.327 . . . . 0.0 110.561 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 mmt -87.58 77.69 8.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 110.779 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.82 149.11 9.38 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -101.55 -47.89 4.51 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.743 0.306 . . . . 0.0 110.453 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -143.04 145.83 33.27 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -118.2 -3.83 11.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.659 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -82.56 134.98 35.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.566 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 49.71 36.91 11.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.465 ' O ' ' OD1' ' A' ' 10' ' ' ASN . 42.3 t-20 -123.81 5.39 8.77 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.844 0.354 . . . . 0.0 110.448 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.06 117.92 30.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.81 0.338 . . . . 0.0 110.501 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -131.38 138.25 49.05 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.739 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -128.64 142.87 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.025 0.441 . . . . 0.0 110.173 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -93.92 117.59 30.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.0 mt -112.27 115.14 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.42 -179.9 16.52 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 63.96 32.32 13.18 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.932 0.396 . . . . 0.0 110.714 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.62 139.3 39.1 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.451 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.44 138.09 58.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.241 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -60.17 -19.17 52.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.22 -29.72 70.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 22' ' ' LEU . 11.1 mp -69.85 125.18 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.261 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.8 p -106.32 -173.94 2.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.634 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.44 -39.95 89.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.625 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.32 -44.83 97.13 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.0 t70 -62.99 -48.53 78.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 111.051 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.96 -45.96 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.324 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' OG ' ' A' ' 32' ' ' SER . 14.1 mt -59.86 -48.66 80.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.47 HG23 ' O ' ' B' ' 319' ' ' TRP . 96.0 m -63.49 -42.42 98.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.049 0.452 . . . . 0.0 110.994 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 26' ' ' ASP . 61.9 t -61.7 -48.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.164 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -85.74 -15.97 40.42 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.476 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 28' ' ' LEU . 3.2 m -46.49 -58.06 4.13 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.894 0.378 . . . . 0.0 111.687 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -65.58 -26.29 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.03 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.436 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 58.5 m-85 -100.74 34.76 2.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.672 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.44 72.02 0.95 Allowed Glycine 0 C--N 1.34 0.786 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.21 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -56.38 124.47 61.49 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-O 120.955 0.407 . . . . 0.0 110.848 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.69 159.47 35.18 Favored 'Trans proline' 0 N--CA 1.489 1.214 0 C-N-CA 123.06 2.507 . . . . 0.0 112.525 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -90.47 -16.87 8.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.645 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -173.27 155.92 3.02 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.722 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -140.47 150.53 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.657 0.265 . . . . 0.0 110.33 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.4 mt -111.04 119.39 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.855 0.36 . . . . 0.0 110.314 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 42' ' ' LEU . 4.3 mm? -96.7 108.04 20.61 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.0 t -74.92 125.89 29.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.674 ' NE ' HE21 ' A' ' 52' ' ' GLN . 41.9 ttm180 -147.61 130.37 16.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.47 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -83.53 122.8 29.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.444 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -76.89 -6.61 53.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.31 -40.58 96.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -126.01 -16.03 5.69 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.782 0.325 . . . . 0.0 110.577 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.17 1.0 90.26 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' H ' HG23 ' A' ' 48' ' ' THR . 88.2 tt0 -135.85 127.62 29.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.478 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.6 m -174.38 -81.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.674 HE21 ' NE ' ' A' ' 44' ' ' ARG . 28.3 mp0 44.46 -134.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.76 -14.31 64.48 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.43 160.52 26.44 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.96 163.93 39.11 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.656 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -111.79 120.86 43.41 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.132 0.492 . . . . 0.0 110.559 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.87 144.03 26.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.506 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -120.9 106.31 11.51 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.9 0.381 . . . . 0.0 110.674 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.615 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 47.5 t80 -114.25 167.15 10.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.306 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.615 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 81.3 mm-40 -75.46 -59.0 2.94 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' CD2' ' A' ' 59' ' ' TYR . 95.4 m-20 -115.45 130.1 56.78 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.838 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' OG1' ' A' ' 65' ' ' THR . 19.0 pt20 -59.77 -22.43 62.1 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.932 0.396 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' ILE . 89.6 mtm180 -60.5 -22.07 63.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.601 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.544 ' OG ' ' CE2' ' A' ' 59' ' ' TYR . 82.9 p -78.26 -35.68 47.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.901 0.381 . . . . 0.0 111.383 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 69' ' ' VAL . 39.9 p -65.28 -32.51 74.2 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.732 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 63' ' ' ARG . 13.9 tt -48.54 -31.76 3.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.639 ' CD1' HD12 ' B' ' 313' ' ' ILE . 8.9 mt -70.29 -53.39 17.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.159 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -63.67 -35.0 79.1 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.686 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 65' ' ' THR . 74.5 t -59.74 -49.41 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.314 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -86.2 -11.09 53.39 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 90.0 m-20 -100.59 -14.65 18.09 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD12 ' HB1' ' A' ' 68' ' ' ALA . 77.3 mt -120.73 -16.34 8.23 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.005 0.431 . . . . 0.0 111.595 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 14.5 t-20 -68.49 116.84 9.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.33 7.76 79.1 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' CD1' ' CB ' ' B' ' 326' ' ' ASN . 24.5 t80 -94.58 124.65 38.74 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 110.337 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -76.49 130.1 37.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.73 130.1 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 66.97 23.1 72.67 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.71 -8.9 79.11 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -134.45 155.45 50.32 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 122.622 -0.34 . . . . 0.0 110.78 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.55 135.63 40.68 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.707 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.799 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -93.7 156.22 16.81 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -123.43 126.8 47.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 84' ' ' ILE . 5.3 mp -110.98 135.54 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.36 0.6 . . . . 0.0 109.925 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 86' ' ' HIS . 40.4 t0 -150.2 149.0 29.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.796 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.459 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 47.1 m-70 -78.61 130.46 35.94 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.13 -30.73 4.59 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.781 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 54.25 31.22 13.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.397 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -79.78 130.36 35.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.875 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.492 ' O ' ' CE2' ' A' ' 89' ' ' TYR . 3.0 mpt_? -83.13 148.51 56.58 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.05 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -48.41 147.96 8.33 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 123.023 2.482 . . . . 0.0 112.053 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.93 -174.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 62.05 22.19 12.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.238 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.5 m -133.24 154.97 50.18 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.707 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 95' ' ' LEU . 17.6 tp -135.69 51.05 2.07 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.437 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 46.0 50.53 11.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.727 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 43.1 47.44 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.563 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 100' ' ' GLU . 29.1 t80 -52.11 -17.26 1.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.83 66.67 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.505 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' TYR . 31.7 tp10 -175.01 -38.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 110.669 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 105' ' ' GLU . . . -68.3 -27.85 66.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.669 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -55.57 -30.22 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.047 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -101.46 -24.4 14.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.753 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -100.21 3.95 44.01 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.881 0.372 . . . . 0.0 110.794 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 101' ' ' ALA . 19.1 pt-20 -57.29 138.2 55.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.625 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tp 54.41 24.98 5.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.468 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -157.31 106.59 2.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.735 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -170.0 -55.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.478 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -154.45 72.43 0.87 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 111' ' ' VAL . 16.1 tt -168.9 -53.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.42 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.659 ' N ' HG23 ' A' ' 110' ' ' ILE . 14.4 p -78.32 -36.29 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.599 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.405 ' N ' HG13 ' A' ' 111' ' ' VAL . 82.5 p -72.35 157.57 37.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -130.49 159.51 36.88 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.48 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -73.19 87.29 1.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.324 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -61.58 -38.79 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.718 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.16 86.63 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -83.44 120.94 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.471 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.909 -1.044 . . . . 0.0 110.481 -179.884 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 302' ' ' TYR . . . . . . . . . . . . . 50.8 p90 . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.99 139.28 58.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.289 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . 0.601 ' H ' ' CD ' ' B' ' 304' ' ' LYS . 0.0 OUTLIER -67.18 151.17 97.42 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 305' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.87 -27.82 36.78 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.863 2.375 . . . . 0.0 112.097 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -109.89 154.59 42.53 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.716 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 307' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.33 150.91 84.36 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.799 2.333 . . . . 0.0 112.103 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 308' ' ' GLU . . . . . 0.525 ' OE1' ' CE1' ' B' ' 333' ' ' PHE . 3.2 pp20? -57.87 142.61 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.466 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' B' ' 308' ' ' GLU . 25.6 m-80 -170.83 146.37 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 310' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -84.12 -6.15 59.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 311' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' B' ' 311' ' ' PHE . 8.8 m-85 -114.28 -175.89 2.78 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.47 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -141.51 44.75 1.73 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.68 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 313' ' ' ILE . . . . . 0.639 HD12 ' CD1' ' A' ' 67' ' ' LEU . 82.4 mt -84.37 123.22 38.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 314' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' B' ' 314' ' ' MET . 0.0 OUTLIER -68.43 148.34 98.16 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.238 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 315' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.67 159.71 48.06 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 123.033 2.489 . . . . 0.0 112.192 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -103.36 153.25 18.02 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 317' ' ' SER . . . . . . . . . . . . . 88.8 p -61.72 -36.43 80.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.575 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -66.25 -3.9 6.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.652 ' C ' ' H ' ' B' ' 321' ' ' GLY . 21.1 t90 -63.11 -14.77 52.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.23 0.538 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 320' ' ' ASP . . . . . . . . . . . . . 28.0 t0 62.94 -20.01 0.05 Allowed 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.759 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' B' ' 319' ' ' TRP . . . 92.2 9.52 61.92 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 322' ' ' VAL . . . . . 0.402 ' O ' ' NE1' ' B' ' 319' ' ' TRP . 80.5 t -71.09 135.11 28.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.841 0.353 . . . . 0.0 110.412 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 323' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -81.05 120.91 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.359 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' B' ' 324' ' ' ARG . 11.2 mmp_? -132.71 106.32 7.7 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 325' ' ' SER . . . . . . . . . . . . . 22.0 m -160.55 140.85 11.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.779 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 326' ' ' ASN . . . . . 0.412 ' CB ' ' CD1' ' A' ' 75' ' ' PHE . 17.5 t-20 -171.14 51.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.614 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 327' ' ' GLY . . . . . . . . . . . . . . . -100.35 120.67 6.96 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -67.39 -24.57 65.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.731 0.301 . . . . 0.0 110.212 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.44 -19.82 50.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.401 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -48.45 -31.05 5.74 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.461 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -56.27 -28.57 59.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.399 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 332' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -60.9 -44.99 96.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.14 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 333' ' ' PHE . . . . . 0.525 ' CE1' ' OE1' ' B' ' 308' ' ' GLU . 73.0 m-85 -64.04 -39.53 94.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.218 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 334' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.55 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.502 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 335' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.28 -39.22 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.368 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . 0.482 ' O ' HG22 ' B' ' 339' ' ' ILE . 72.2 mm-40 -65.41 -24.67 67.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.65 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 337' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -86.88 -41.43 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.113 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -64.99 -39.82 94.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.781 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 339' ' ' ILE . . . . . 0.482 HG22 ' O ' ' B' ' 336' ' ' GLN . 9.0 tp -57.84 -27.5 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' B' ' 339' ' ' ILE . 7.0 m120 59.94 148.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.38 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -61.87 -38.8 89.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.501 -179.875 . . . . . . . . 0 0 . 1 stop_ save_